1-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]-1,2,4-triazole-3-carbonitrile Formula: C13H14N6O3S2 MolecularWeight: 366.41866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C=NC(=N2)C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CN2C=NC(=N2)C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C13H14N6O3S2/c14-8-11-15-10-18(16-11)9-12(20)17-3-5-19(6-4-17)24(21,22)13-2-1-7-23-13/h1-2,7,10H,3-6,9H2