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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C15H20N6O4S MolecularWeight: 380.4221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O4S/c1-3-4-5-13-18-19-15(20(13)16)26-9-14(22)17-11-7-6-10(25-2)8-12(11)21(23)24/h6-8H,3-5,9,16H2,1-2H3,(H,17,22)