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

Systemtic Name: 2-[4-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C20H21N7S MolecularWeight: 391.49264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H21N7S/c1-16-23-26(20(28)27(16)18-5-3-2-4-6-18)15-24-9-11-25(12-10-24)19-13-17(14-21)7-8-22-19/h2-8,13H,9-12,15H2,1H3