(4-methoxyphenyl)-[4-[(4-methyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[4-[(4-methyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-[[4-methyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]methanone CAS Name: (4-methoxyphenyl)-[4-[[4-methyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]methanone IUPAC Name: (4-methoxyphenyl)-[4-[(4-methyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]methanone Traditional Name: (4-methoxyphenyl)-[4-[[4-methyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]methanone Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)OC)C4=CN=CC=C4

InChI

InChI=1S/C21H24N6O2S/c1-24-19(17-4-3-9-22-14-17)23-27(21(24)30)15-25-10-12-26(13-11-25)20(28)16-5-7-18(29-2)8-6-16/h3-9,14H,10-13,15H2,1-2H3