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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide Openeye Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-propanamide CAS Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide Traditional Name: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4OS/c1-14(2)23-21(27)17(5)28-22-25-24-20(18-9-7-6-8-10-18)26(22)19-12-11-15(3)16(4)13-19/h6-14,17H,1-5H3,(H,23,27)