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

Systemtic Name: N-cyclopentyl-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-cyclopentyl-benzamide CAS Name: N-cyclopentyl-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-cyclopentylbenzamide Traditional Name: 4-[5-(benzylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]-N-cyclopentyl-benzamide Formula: C21H21N3OS3 MolecularWeight: 427.60594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS3/c25-19(22-17-8-4-5-9-17)16-10-12-18(13-11-16)24-21(26)28-20(23-24)27-14-15-6-2-1-3-7-15/h1-3,6-7,10-13,17H,4-5,8-9,14H2,(H,22,25)