4-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]butanenitrile IUPAC Name: 4-[[4-(2-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(o-tolyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]butyronitrile Formula: C13H13N3S3 MolecularWeight: 307.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=S)SC(=N2)SCCCC#N

Isomeric SMILES

CC1=CC=CC=C1N2C(=S)SC(=N2)SCCCC#N

InChI

InChI=1S/C13H13N3S3/c1-10-6-2-3-7-11(10)16-13(17)19-12(15-16)18-9-5-4-8-14/h2-3,6-7H,4-5,9H2,1H3