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

Systemtic Name: 5-[3-[4-(3,5-diethylphenyl)piperazin-1-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine Openeye Name: 5-[3-[4-(3,5-diethylphenyl)piperazin-1-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine CAS Name: 5-[3-[4-(3,5-diethylphenyl)-1-piperazinyl]propylthio]-4-methyl-1,2,4-triazol-3-amine IUPAC Name: 5-[3-[4-(3,5-diethylphenyl)piperazin-1-yl]propylsulfanyl]-4-methyl-1,2,4-triazol-3-amine Traditional Name: [5-[3-[4-(3,5-diethylphenyl)piperazino]propylthio]-4-methyl-1,2,4-triazol-3-yl]amine Formula: C20H32N6S MolecularWeight: 388.57328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NN=C(N3C)N)CC

Isomeric SMILES

CCC1=CC(=CC(=C1)N2CCN(CC2)CCCSC3=NN=C(N3C)N)CC

InChI

InChI=1S/C20H32N6S/c1-4-16-13-17(5-2)15-18(14-16)26-10-8-25(9-11-26)7-6-12-27-20-23-22-19(21)24(20)3/h13-15H,4-12H2,1-3H3,(H2,21,22)