4-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C20H20N6O2S2 MolecularWeight: 440.5418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H20N6O2S2/c21-14-17-6-8-19(9-7-17)30(27,28)24-12-10-23(11-13-24)16-26-20(29)25(15-22-26)18-4-2-1-3-5-18/h1-9,15H,10-13,16H2