2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(phenoxymethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(phenoxymethyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13-7-9-14(10-8-13)22-17(11-24-15-5-3-2-4-6-15)20-21-18(22)25-12-16(19)23/h2-10H,11-12H2,1H3,(H2,19,23)