6-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide

Systemtic Name: 6-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxidanylidene-butan-2-yl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide Openeye Name: 6-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-1-methyl-2-oxo-propyl]sulfanyl-N,N-dimethyl-pyridine-3-sulfonamide CAS Name: 6-[[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]thio]-N,N-dimethyl-3-pyridinesulfonamide IUPAC Name: 6-[(4Z)-4-(3H-1,3-benzothiazol-2-ylidene)-4-cyano-3-oxobutan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide Traditional Name: 6-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-1-methyl-propyl]thio]-N,N-dimethyl-pyridine-3-sulfonamide Formula: C19H18N4O3S3 MolecularWeight: 446.56622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=C1NC2=CC=CC=C2S1)C#N)SC3=NC=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C(=O)/C(=C\1/NC2=CC=CC=C2S1)/C#N)SC3=NC=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H18N4O3S3/c1-12(27-17-9-8-13(11-21-17)29(25,26)23(2)3)18(24)14(10-20)19-22-15-6-4-5-7-16(15)28-19/h4-9,11-12,22H,1-3H3/b19-14-