4-[[4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-[2-(1-benzotriazolyl)ethylsulfonyl]-1-piperazinyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-[2-(benzotriazol-1-yl)ethylsulfonyl]piperazino]methyl]-2-(3-thienyl)thiazole Formula: C20H22N6O2S3 MolecularWeight: 474.62268

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)CCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)CCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H22N6O2S3/c27-31(28,12-10-26-19-4-2-1-3-18(19)22-23-26)25-8-6-24(7-9-25)13-17-15-30-20(21-17)16-5-11-29-14-16/h1-5,11,14-15H,6-10,12-13H2