2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-N-(p-tolyl)acetamide Formula: C30H32N4OS MolecularWeight: 496.66628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3CC=C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H32N4OS/c1-6-20-34-27(23-14-16-24(17-15-23)30(3,4)5)32-33-29(34)36-26(22-10-8-7-9-11-22)28(35)31-25-18-12-21(2)13-19-25/h6-19,26H,1,20H2,2-5H3,(H,31,35)