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

Systemtic Name: 2-[4-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C21H23N7S MolecularWeight: 405.51922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C21H23N7S/c1-17-24-28(21(29)27(17)15-18-5-3-2-4-6-18)16-25-9-11-26(12-10-25)20-13-19(14-22)7-8-23-20/h2-8,13H,9-12,15-16H2,1H3