(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2-methylphenyl)methylsulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2-methylphenyl)methylsulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(o-tolylmethylsulfanyl)-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2-methylphenyl)methylthio]-3-oxobutanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2-methylphenyl)methylsulfanyl]-3-oxobutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2-methylbenzyl)thio]butyronitrile Formula: C20H18N2OS2 MolecularWeight: 366.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C20H18N2OS2/c1-14-7-3-4-8-15(14)12-24-13-18(23)16(11-21)20-22(2)17-9-5-6-10-19(17)25-20/h3-10H,12-13H2,1-2H3/b20-16-