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

Systemtic Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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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)N3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S2/c26-19(15-8-10-17(11-9-15)30(27,28)24-12-4-5-13-24)21-14-18-22-23-20(29)25(18)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,26)(H,23,29)