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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-nitro-4-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-nitro-4-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C16H11N5O5S MolecularWeight: 385.35404

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC4=NC=NN4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)SC4=NC=NN4)[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O5S/c22-15(19-10-2-3-12-13(6-10)26-8-25-12)9-1-4-14(11(5-9)21(23)24)27-16-17-7-18-20-16/h1-7H,8H2,(H,19,22)(H,17,18,20)