4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-piperidin-1-yl-benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-piperidin-1-yl-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(1-piperidyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(1-piperidinyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-piperidin-1-ylbenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-piperidino-benzamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NN3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NN3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3S/c1-19-10-16-17-15(19)25-13-6-5-11(9-12(13)21(23)24)14(22)18-20-7-3-2-4-8-20/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,22)