N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C)C(=O)NCCC3=CCCCC3)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SC(C)C(=O)NCCC3=CCCCC3)C4=CN=CC=C4)C

InChI

InChI=1S/C26H31N5OS/c1-18-11-12-23(19(2)16-18)31-24(22-10-7-14-27-17-22)29-30-26(31)33-20(3)25(32)28-15-13-21-8-5-4-6-9-21/h7-8,10-12,14,16-17,20H,4-6,9,13,15H2,1-3H3,(H,28,32)