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

Systemtic Name: N-(4-methoxyphenyl)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C(C)C)SCC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C(C)C)SCC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-14(2)25-20(16-7-5-6-15(3)12-16)23-24-21(25)28-13-19(26)22-17-8-10-18(27-4)11-9-17/h5-12,14H,13H2,1-4H3,(H,22,26)