N-cyclopropyl-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: N-cyclopropyl-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: N-cyclopropyl-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-thienylmethyl)propanamide CAS Name: N-cyclopropyl-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: N-cyclopropyl-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: N-cyclopropyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-(2-thenyl)propionamide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(CC3=CC=CS3)C4CC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(CC3=CC=CS3)C4CC4

InChI

InChI=1S/C21H24N4O2S2/c1-2-27-17-9-5-15(6-10-17)20-22-23-21(28)24(20)12-11-19(26)25(16-7-8-16)14-18-4-3-13-29-18/h3-6,9-10,13,16H,2,7-8,11-12,14H2,1H3,(H,23,28)