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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-pyridin-4-yl-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(4-pyridyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-pyridin-4-ylbenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-pyridin-4-ylbenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(4-pyridyl)benzamide Formula: C15H12N6O3S MolecularWeight: 356.35918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O3S/c1-20-9-17-19-15(20)25-13-3-2-10(8-12(13)21(23)24)14(22)18-11-4-6-16-7-5-11/h2-9H,1H3,(H,16,18,22)