3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[4-butyl-3-(4-chlorophenyl)-5-thioxo-1,2,4-triazol-1-yl]-N-(3-pyridylmethyl)propionamide Formula: C21H24ClN5OS MolecularWeight: 429.96616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CCC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCN1C(=NN(C1=S)CCC(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN5OS/c1-2-3-12-26-20(17-6-8-18(22)9-7-17)25-27(21(26)29)13-10-19(28)24-15-16-5-4-11-23-14-16/h4-9,11,14H,2-3,10,12-13,15H2,1H3,(H,24,28)