2-[4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C18H22N6O3S2 MolecularWeight: 434.53568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H22N6O3S2/c1-2-5-16-20-21-18(28)24(16)13-17(25)22-8-10-23(11-9-22)29(26,27)15-7-4-3-6-14(15)12-19/h3-4,6-7H,2,5,8-11,13H2,1H3,(H,21,28)