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

Systemtic Name: N-(2-methylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methylphenyl)-2-[[5-(3-propan-2-yloxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C23H26N4O2S/c1-5-13-27-22(18-10-8-11-19(14-18)29-16(2)3)25-26-23(27)30-15-21(28)24-20-12-7-6-9-17(20)4/h5-12,14,16H,1,13,15H2,2-4H3,(H,24,28)