5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide

Systemtic Name: 5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Openeye Name: 5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide CAS Name: 5-nitro-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylthio)benzamide IUPAC Name: 5-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)benzamide Traditional Name: 5-nitro-N-[4-(pyrazol-1-ylmethyl)benzyl]-2-(1H-1,2,4-triazol-5-ylthio)benzamide Formula: C20H17N7O3S MolecularWeight: 435.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC=NN4

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC=NN4

InChI

InChI=1S/C20H17N7O3S/c28-19(21-11-14-2-4-15(5-3-14)12-26-9-1-8-24-26)17-10-16(27(29)30)6-7-18(17)31-20-22-13-23-25-20/h1-10,13H,11-12H2,(H,21,28)(H,22,23,25)