N-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]benzamide IUPAC Name: N-[2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C19H18N4O2S2/c24-17(20-18(25)13-5-2-1-3-6-13)12-27-19-22-21-16(23(19)14-8-9-14)11-15-7-4-10-26-15/h1-7,10,14H,8-9,11-12H2,(H,20,24,25)