2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-bis(phenylmethyl)ethanamide Openeye Name: N,N-dibenzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N,N-bis(phenylmethyl)acetamide IUPAC Name: N,N-dibenzyl-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N,N-dibenzyl-2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(15-28-21-23-22-20(27)25(21)18-11-12-18)24(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,22,27)