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

Systemtic Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Openeye Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[[4-(1-piperidyl)phenyl]methyl]benzamide CAS Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[[4-(1-piperidinyl)phenyl]methyl]benzamide IUPAC Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[(4-piperidin-1-ylphenyl)methyl]benzamide Traditional Name: N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(4-piperidinobenzyl)benzamide Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O3S/c1-26(15-17-6-9-19(10-7-17)28-12-4-3-5-13-28)22(30)18-8-11-21(20(14-18)29(31)32)33-23-25-24-16-27(23)2/h6-11,14,16H,3-5,12-13,15H2,1-2H3