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

Systemtic Name: N-(4-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[[5-(3-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[[4-isopropyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-14(2)26-20(17-6-4-5-15(3)11-17)24-25-21(26)28-13-19(27)23-18-9-7-16(12-22)8-10-18/h4-11,14H,13H2,1-3H3,(H,23,27)