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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C14H18N6O3S MolecularWeight: 350.39612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O3S/c1-2-3-7-12-17-18-14(19(12)15)24-9-13(21)16-10-5-4-6-11(8-10)20(22)23/h4-6,8H,2-3,7,9,15H2,1H3,(H,16,21)