2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxo-butanenitrile CAS Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile IUPAC Name: 2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanenitrile Traditional Name: 2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[[5-(o-toluidino)-1,3,4-thiadiazol-2-yl]thio]butyronitrile Formula: C20H15N5OS3 MolecularWeight: 437.561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)C(=C3NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C20H15N5OS3/c1-12-6-2-3-7-14(12)23-19-24-25-20(29-19)27-11-16(26)13(10-21)18-22-15-8-4-5-9-17(15)28-18/h2-9,22H,11H2,1H3,(H,23,24)