2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide

Systemtic Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: 2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: 2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-propionamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3CC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3CC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H30N4OS/c1-4-5-6-19-9-15-22(16-10-19)29-23(20-11-7-17(2)8-12-20)27-28-25(29)31-18(3)24(30)26-21-13-14-21/h7-12,15-16,18,21H,4-6,13-14H2,1-3H3,(H,26,30)