N-cyclopropyl-2-[methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]amino]ethanamide

Systemtic Name: N-cyclopropyl-2-[methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]amino]ethanamide Openeye Name: 2-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]amino]acetamide IUPAC Name: 2-[(4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-cyclopropyl-acetamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS2/c1-23(13-18(26)21-16-9-10-16)14-25-20(27)24(12-15-6-3-2-4-7-15)19(22-25)17-8-5-11-28-17/h2-8,11,16H,9-10,12-14H2,1H3,(H,21,26)