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

Systemtic Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-butanamide Openeye Name: N-isopropyl-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylbutanamide IUPAC Name: 4-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylbutanamide Traditional Name: N-isopropyl-4-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCCC(=O)NC(C)C

InChI

InChI=1S/C22H26N4OS/c1-16(2)23-20(27)10-7-15-28-22-25-24-21(18-13-11-17(3)12-14-18)26(22)19-8-5-4-6-9-19/h4-6,8-9,11-14,16H,7,10,15H2,1-3H3,(H,23,27)