2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C19H28N6O2S MolecularWeight: 404.52962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H28N6O2S/c1-19(2,3)17-21-22-18(25(17)20)28-13-16(26)24-11-9-23(10-12-24)14-5-7-15(27-4)8-6-14/h5-8H,9-13,20H2,1-4H3