(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]butyronitrile Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)/C(=C/3\NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C21H16N4O2S2/c1-27-15-6-4-5-14(11-15)25-10-9-23-21(25)28-13-18(26)16(12-22)20-24-17-7-2-3-8-19(17)29-20/h2-11,24H,13H2,1H3/b20-16+