3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]benzonitrile Formula: C16H11N3S3 MolecularWeight: 341.47364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H11N3S3/c17-10-12-5-4-6-13(9-12)11-21-15-18-19(16(20)22-15)14-7-2-1-3-8-14/h1-9H,11H2