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

Systemtic Name: N-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25N5O3S/c1-29-15-6-9-21(29)24(32)26-22(31)17-34-25-28-27-23(19-10-12-20(33-2)13-11-19)30(25)16-14-18-7-4-3-5-8-18/h3-13,15H,14,16-17H2,1-2H3,(H,26,31,32)