4-[3-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzenecarbonitrile Openeye Name: 4-[3-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzonitrile CAS Name: 4-[3-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2,5-dimethyl-1-pyrrolyl]benzonitrile IUPAC Name: 4-[3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzonitrile Traditional Name: 4-[3-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]benzonitrile Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C=C3C(=O)N=C(S3)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C=C3C(=O)N=C(S3)N

InChI

InChI=1S/C17H14N4OS/c1-10-7-13(8-15-16(22)20-17(19)23-15)11(2)21(10)14-5-3-12(9-18)4-6-14/h3-8H,1-2H3,(H2,19,20,22)