2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Openeye Name: 2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine CAS Name: 2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]propyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]pyrimidine Traditional Name: 2-tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)thio]propyl]piperazino]pyrimidine Formula: C18H29N7S MolecularWeight: 375.53476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=CC(=N1)N2CCN(CC2)CCCSC3=NN=CN3C

Isomeric SMILES

CC(C)(C)C1=NC=CC(=N1)N2CCN(CC2)CCCSC3=NN=CN3C

InChI

InChI=1S/C18H29N7S/c1-18(2,3)16-19-7-6-15(21-16)25-11-9-24(10-12-25)8-5-13-26-17-22-20-14-23(17)4/h6-7,14H,5,8-13H2,1-4H3