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

Systemtic Name: N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3CC4=CC=CC=C4

InChI

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