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

Systemtic Name: N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-piperidinosulfonyl-benzamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c28-21(18-9-11-19(12-10-18)32(29,30)26-13-5-2-6-14-26)23-15-20-24-25-22(31)27(20)16-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2,(H,23,28)(H,25,31)