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

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methoxyphenyl)sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methoxyphenyl)sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[(3-methoxyphenyl)thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-(3-methoxyphenyl)sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[(3-methoxyphenyl)thio]butyronitrile Formula: C18H14N2O2S2 MolecularWeight: 354.44596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

COC1=CC(=CC=C1)SCC(=O)/C(=C/2\NC3=CC=CC=C3S2)/C#N

InChI

InChI=1S/C18H14N2O2S2/c1-22-12-5-4-6-13(9-12)23-11-16(21)14(10-19)18-20-15-7-2-3-8-17(15)24-18/h2-9,20H,11H2,1H3/b18-14+