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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-methyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-methyl-acetamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N4OS/c1-6-16-29-23(20-12-14-21(15-13-20)25(2,3)4)26-27-24(29)31-18-22(30)28(5)17-19-10-8-7-9-11-19/h6-15H,1,16-18H2,2-5H3