2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazino]isonicotinonitrile Formula: C19H19N7S MolecularWeight: 377.46606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7S/c20-13-15-6-7-21-17(12-15)25-10-8-24(9-11-25)14-26-19(27)22-18(23-26)16-4-2-1-3-5-16/h1-7,12H,8-11,14H2,(H,22,23,27)