1-methyl-N-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide CAS Name: 1-methyl-N-[1-oxo-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-N-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-N-[2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetyl]pyrrole-2-carboxamide Formula: C23H23N5O2S2 MolecularWeight: 465.59102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H23N5O2S2/c1-27-12-5-10-19(27)22(30)24-21(29)16-32-23-26-25-20(15-18-9-6-14-31-18)28(23)13-11-17-7-3-2-4-8-17/h2-10,12,14H,11,13,15-16H2,1H3,(H,24,29,30)