[4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(4-methylpiperazino)methanone Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N3CCN(CC3)C)C4=CC=NC=C4

InChI

InChI=1S/C22H26N6OS/c1-3-28-20(18-8-10-23-11-9-18)24-25-22(28)30-16-17-4-6-19(7-5-17)21(29)27-14-12-26(2)13-15-27/h4-11H,3,12-16H2,1-2H3