(5-methylsulfonyl-2-propan-2-ylsulfanyl-phenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone

Systemtic Name: (5-methylsulfonyl-2-propan-2-ylsulfanyl-phenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone Openeye Name: (2-isopropylsulfanyl-5-methylsulfonyl-phenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone CAS Name: [5-methylsulfonyl-2-(propan-2-ylthio)phenyl]-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-ylsulfanylphenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone Traditional Name: [2-(isopropylthio)-5-mesyl-phenyl]-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]methanone Formula: C23H26N4O3S3 MolecularWeight: 502.67254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S3/c1-16(2)31-20-10-9-18(33(3,29)30)15-19(20)22(28)26-11-13-27(14-12-26)23-24-21(25-32-23)17-7-5-4-6-8-17/h4-10,15-16H,11-14H2,1-3H3