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

Systemtic Name: N-(4-butylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-butylphenyl)acetamide Formula: C24H28N4O2S MolecularWeight: 436.56972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H28N4O2S/c1-4-6-8-18-11-13-20(14-12-18)25-22(29)17-31-24-27-26-23(28(24)15-5-2)19-9-7-10-21(16-19)30-3/h5,7,9-14,16H,2,4,6,8,15,17H2,1,3H3,(H,25,29)