2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-allyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C16H19N7S MolecularWeight: 341.43396

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C=CCN1C=NN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C16H19N7S/c1-2-5-22-12-19-23(16(22)24)13-20-6-8-21(9-7-20)15-10-14(11-17)3-4-18-15/h2-4,10,12H,1,5-9,13H2