4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-nitro-benzamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c17-14(22)10-3-4-11(13(7-10)21(23)24)8-25-16-19-18-15(9-1-2-9)20(16)12-5-6-12/h3-4,7,9,12H,1-2,5-6,8H2,(H2,17,22)