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

Systemtic Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylpropanamide IUPAC Name: 2-[[4-(4-butylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[[4-(4-butylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]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)NCC=C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NCC=C)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H30N4OS/c1-5-7-8-20-11-15-22(16-12-20)29-23(21-13-9-18(3)10-14-21)27-28-25(29)31-19(4)24(30)26-17-6-2/h6,9-16,19H,2,5,7-8,17H2,1,3-4H3,(H,26,30)