3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-3-thiophen-2-yl-propanamide

Systemtic Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)-3-thiophen-2-yl-propanamide Openeye Name: N-benzyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(2-thienyl)propanamide CAS Name: 3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)-3-thiophen-2-ylpropanamide IUPAC Name: N-benzyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-thiophen-2-ylpropanamide Traditional Name: N-benzyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-3-(2-thienyl)propionamide Formula: C23H22N4O2S2 MolecularWeight: 450.57638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SC(CC(=O)NCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H22N4O2S2/c1-29-18-11-9-17(10-12-18)22-25-23(27-26-22)31-20(19-8-5-13-30-19)14-21(28)24-15-16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,24,28)(H,25,26,27)