5-nitro-N-propan-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: 5-nitro-N-propan-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-isopropyl-5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: 5-nitro-N-propan-2-yl-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: 5-nitro-N-propan-2-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-isopropyl-5-nitro-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC=NN2

Isomeric SMILES

CC(C)NC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C12H13N5O3S/c1-7(2)15-11(18)9-5-8(17(19)20)3-4-10(9)21-12-13-6-14-16-12/h3-7H,1-2H3,(H,15,18)(H,13,14,16)