5-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine

Systemtic Name: 5-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine Openeye Name: 5-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine CAS Name: 5-[3-[4-(3,5-ditert-butylphenyl)-1-piperazinyl]propylthio]-4-methyl-1,2,4-triazol-3-amine IUPAC Name: 5-[3-[4-(3,5-ditert-butylphenyl)piperazin-1-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine Traditional Name: [5-[3-[4-(3,5-ditert-butylphenyl)piperazino]propylthio]-4-methyl-1,2,4-triazol-3-yl]amine Formula: C24H40N6S MolecularWeight: 444.6796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NN=C(N3C)N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NN=C(N3C)N)C(C)(C)C

InChI

InChI=1S/C24H40N6S/c1-23(2,3)18-15-19(24(4,5)6)17-20(16-18)30-12-10-29(11-13-30)9-8-14-31-22-27-26-21(25)28(22)7/h15-17H,8-14H2,1-7H3,(H2,25,26)