2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-19-7-6-10-21(17-19)27-25(31)18-33-26-29-28-24(16-11-20-8-4-3-5-9-20)30(26)22-12-14-23(32-2)15-13-22/h3-10,12-15,17H,11,16,18H2,1-2H3,(H,27,31)