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

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCCC(=O)N)C3=CC=CC=C3)C

InChI

InChI=1S/C19H20N4OS/c1-13-8-9-16(12-14(13)2)23-18(15-6-4-3-5-7-15)21-22-19(23)25-11-10-17(20)24/h3-9,12H,10-11H2,1-2H3,(H2,20,24)