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

Systemtic Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-decoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(4-decoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C30H40N4O2S MolecularWeight: 520.7292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C30H40N4O2S/c1-4-6-7-8-9-10-11-14-22-36-26-19-17-25(18-20-26)29-32-33-30(34(29)21-5-2)37-23-28(35)31-27-16-13-12-15-24(27)3/h5,12-13,15-20H,2,4,6-11,14,21-23H2,1,3H3,(H,31,35)