2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-tert-butylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyrazine Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=NC=CN=C3

InChI

InChI=1S/C18H21N5S/c1-18(2,3)14-7-5-13(6-8-14)12-24-17-22-21-16(23(17)4)15-11-19-9-10-20-15/h5-11H,12H2,1-4H3