3-[3-[(4-methylpiperazin-1-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenecarbonitrile

Systemtic Name: 3-[3-[(4-methylpiperazin-1-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzenecarbonitrile Openeye Name: 3-[3-[(4-methylpiperazin-1-yl)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzonitrile CAS Name: 3-[3-[(4-methyl-1-piperazinyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzonitrile IUPAC Name: 3-[3-[(4-methylpiperazin-1-yl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzonitrile Traditional Name: 3-[3-[(4-methylpiperazino)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]benzonitrile Formula: C15H18N6S MolecularWeight: 314.40862

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NNC(=S)N2C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=NNC(=S)N2C3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H18N6S/c1-19-5-7-20(8-6-19)11-14-17-18-15(22)21(14)13-4-2-3-12(9-13)10-16/h2-4,9H,5-8,11H2,1H3,(H,18,22)