2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: N-(2-isopropylphenyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: N-o-cumenyl-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C27H30N4OS2 MolecularWeight: 490.6833

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C27H30N4OS2/c1-19(2)23-13-7-8-14-24(23)28-26(32)20(3)34-27-30-29-25(18-22-12-9-17-33-22)31(27)16-15-21-10-5-4-6-11-21/h4-14,17,19-20H,15-16,18H2,1-3H3,(H,28,32)