4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzamide CAS Name: 4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]-N-prop-2-enylbenzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzamide Formula: C19H17N3OS3 MolecularWeight: 399.55278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H17N3OS3/c1-2-12-20-17(23)15-8-10-16(11-9-15)22-19(24)26-18(21-22)25-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,20,23)