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

Systemtic Name: 3-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C20H30N6O2S MolecularWeight: 418.5562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2S/c1-20(2,3)18-22-23-19(26(18)21)29-14-9-17(27)25-12-10-24(11-13-25)15-5-7-16(28-4)8-6-15/h5-8H,9-14,21H2,1-4H3