4-[4-[3-(1,2,3,4-tetrazol-1-yl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[3-(1,2,3,4-tetrazol-1-yl)thiophen-2-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-[3-(1-tetrazolyl)-2-thiophenyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]piperazino]sulfonylbenzonitrile Formula: C17H15N7O3S2 MolecularWeight: 429.4761

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C=CS2)N3C=NN=N3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C=CS2)N3C=NN=N3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C17H15N7O3S2/c18-11-13-1-3-14(4-2-13)29(26,27)23-8-6-22(7-9-23)17(25)16-15(5-10-28-16)24-12-19-20-21-24/h1-5,10,12H,6-9H2