2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-besylpiperazino)ethanone Formula: C18H20N6O3S3 MolecularWeight: 464.5848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NN=C(N2N)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NN=C(N2N)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O3S3/c19-24-17(15-7-4-12-28-15)20-21-18(24)29-13-16(25)22-8-10-23(11-9-22)30(26,27)14-5-2-1-3-6-14/h1-7,12H,8-11,13,19H2