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

Systemtic Name: N-(2-nitrophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-nitrophenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-nitrophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-nitrophenyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-nitrophenyl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2[N+](=O)[O-])C3=CC=NC=C3

InChI

InChI=1S/C18H18N6O3S/c1-2-11-23-17(13-7-9-19-10-8-13)21-22-18(23)28-12-16(25)20-14-5-3-4-6-15(14)24(26)27/h3-10H,2,11-12H2,1H3,(H,20,25)