3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: 3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: 3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: 3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C9H7N5O3S MolecularWeight: 265.24858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC=NN2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SC2=NC=NN2

InChI

InChI=1S/C9H7N5O3S/c10-8(15)5-1-2-7(6(3-5)14(16)17)18-9-11-4-12-13-9/h1-4H,(H2,10,15)(H,11,12,13)