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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-15(2)26-19(12-16-6-4-3-5-7-16)24-25-21(26)28-14-20(27)23-18-10-8-17(13-22)9-11-18/h3-11,15H,12,14H2,1-2H3,(H,23,27)