(4-thiophen-2-ylsulfonylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone

Systemtic Name: (4-thiophen-2-ylsulfonylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(2-thienylsulfonyl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: (4-thiophen-2-ylsulfonyl-1-piperazinyl)-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: (4-thiophen-2-ylsulfonylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(2-thienylsulfonyl)piperazino]-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C18H19N5O3S3 MolecularWeight: 449.57016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CSC3=NC=NN3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CSC3=NC=NN3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N5O3S3/c24-17(15-5-3-14(4-6-15)12-28-18-19-13-20-21-18)22-7-9-23(10-8-22)29(25,26)16-2-1-11-27-16/h1-6,11,13H,7-10,12H2,(H,19,20,21)