5-[[2-[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl]sulfanylphenyl]-methyl-amino]-3-oxidanylidene-1-propyl-2H-pyrrole-4-carbonitrile

Systemtic Name: 5-[[2-[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl]sulfanylphenyl]-methyl-amino]-3-oxidanylidene-1-propyl-2H-pyrrole-4-carbonitrile Openeye Name: 5-[2-[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl]sulfanyl-N-methyl-anilino]-3-oxo-1-propyl-2H-pyrrole-4-carbonitrile CAS Name: 5-[2-[[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]thio]-N-methylanilino]-3-oxo-1-propyl-2H-pyrrole-4-carbonitrile IUPAC Name: 5-[2-[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl]sulfanyl-N-methylanilino]-3-oxo-1-propyl-2H-pyrrole-4-carbonitrile Traditional Name: 2-[2-[[(3E)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl]thio]-N-methyl-anilino]-4-keto-1-propyl-2-pyrroline-3-carbonitrile Formula: C27H25N5O2S2 MolecularWeight: 515.6497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(=O)C(=C1N(C)C2=CC=CC=C2SCC(=O)C(=C3N(C4=CC=CC=C4S3)C)C#N)C#N

Isomeric SMILES

CCCN1CC(=O)C(=C1N(C)C2=CC=CC=C2SCC(=O)/C(=C/3\N(C4=CC=CC=C4S3)C)/C#N)C#N

InChI

InChI=1S/C27H25N5O2S2/c1-4-13-32-16-22(33)18(14-28)26(32)30(2)20-9-5-7-11-24(20)35-17-23(34)19(15-29)27-31(3)21-10-6-8-12-25(21)36-27/h5-12H,4,13,16-17H2,1-3H3/b27-19+