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

Systemtic Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-piperidinosulfonyl-benzamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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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)N3C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S2/c27-20(22-15-19-23-24-21(30)26(19)17-7-3-1-4-8-17)16-9-11-18(12-10-16)31(28,29)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-15H2,(H,22,27)(H,24,30)