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

Systemtic Name: N-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: N-(4-chlorophenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: N-(4-chlorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: N-(4-chlorophenyl)-2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NN=C(N2C)C3=CC=NC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NN=C(N2C)C3=CC=NC=C3

InChI

InChI=1S/C18H18ClN5OS/c1-3-15(17(25)21-14-6-4-13(19)5-7-14)26-18-23-22-16(24(18)2)12-8-10-20-11-9-12/h4-11,15H,3H2,1-2H3,(H,21,25)