N-[1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-4-piperidyl]benzamide CAS Name: N-[1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-4-piperidyl]benzamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5OS/c1-16-7-9-17(10-8-16)20-24-22(29)27(25-20)15-26-13-11-19(12-14-26)23-21(28)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H,23,28)(H,24,25,29)