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

Systemtic Name: 2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O3S/c1-2-4-11-16-17-13(18(11)14)23-8-12(20)15-9-5-3-6-10(7-9)19(21)22/h3,5-7H,2,4,8,14H2,1H3,(H,15,20)