N-(4-nitrophenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-nitrophenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-nitrophenyl)-3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-nitrophenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-nitrophenyl)-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-nitrophenyl)-3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C19H20N6O3S/c1-2-12-24-18(14-7-10-20-11-8-14)22-23-19(24)29-13-9-17(26)21-15-3-5-16(6-4-15)25(27)28/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,26)