N-[(4-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(4-chlorobenzyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Cl)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CN(CC1=CC=C(C=C1)Cl)C(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C20H20ClN5OS/c1-25(12-14-2-4-16(21)5-3-14)18(27)13-28-20-24-23-19(26(20)17-6-7-17)15-8-10-22-11-9-15/h2-5,8-11,17H,6-7,12-13H2,1H3