N-(cyclohexen-1-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: N-(cyclohexen-1-yl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: N-(1-cyclohexenyl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: N-(cyclohexen-1-yl)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: N-(cyclohexen-1-yl)-2-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C25H29N5O2S MolecularWeight: 463.59506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CCCCC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CCCN(C1=CCCCC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C25H29N5O2S/c1-3-17-29(20-7-5-4-6-8-20)23(31)18-33-25-28-27-24(19-13-15-26-16-14-19)30(25)21-9-11-22(32-2)12-10-21/h7,9-16H,3-6,8,17-18H2,1-2H3