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

Systemtic Name: 2-[4-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-cyclopropyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-cyclopropyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C17H21N7S MolecularWeight: 355.46054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C17H21N7S/c1-13-20-23(17(25)24(13)15-2-3-15)12-21-6-8-22(9-7-21)16-10-14(11-18)4-5-19-16/h4-5,10,15H,2-3,6-9,12H2,1H3