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

Systemtic Name: 2-[4-[[4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[[4-butyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[[4-butyl-3-(4-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[[4-butyl-3-(4-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]isonicotinonitrile Formula: C24H29N7OS MolecularWeight: 463.59836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC(=C3)C#N)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H29N7OS/c1-3-4-11-30-23(20-5-7-21(32-2)8-6-20)27-31(24(30)33)18-28-12-14-29(15-13-28)22-16-19(17-25)9-10-26-22/h5-10,16H,3-4,11-15,18H2,1-2H3