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

Systemtic Name: N-(4-acetamidophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H23N5O2S/c1-4-12-27-21(17-7-5-6-15(2)13-17)25-26-22(27)30-14-20(29)24-19-10-8-18(9-11-19)23-16(3)28/h4-11,13H,1,12,14H2,2-3H3,(H,23,28)(H,24,29)