N-(6-methoxypyridin-3-yl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide

Systemtic Name: N-(6-methoxypyridin-3-yl)-4-[5-(phenylmethylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide Openeye Name: 4-(5-benzylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)-N-(6-methoxy-3-pyridyl)benzamide CAS Name: N-(6-methoxy-3-pyridinyl)-4-[5-(phenylmethylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzamide IUPAC Name: 4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)-N-(6-methoxypyridin-3-yl)benzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-(6-methoxy-3-pyridyl)benzamide Formula: C22H18N4O2S3 MolecularWeight: 466.59892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S3/c1-28-19-12-9-17(13-23-19)24-20(27)16-7-10-18(11-8-16)26-22(29)31-21(25-26)30-14-15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,27)