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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(3-pyridylmethyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(3-pyridylmethyl)benzamide Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3S/c1-21-10-19-20-16(21)26-14-5-4-12(7-13(14)22(24)25)15(23)18-9-11-3-2-6-17-8-11/h2-8,10H,9H2,1H3,(H,18,23)