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

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-tert-butylbenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]pyrazine Formula: C24H25N5S MolecularWeight: 415.5538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=NC=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=NC=CN=C4

InChI

InChI=1S/C24H25N5S/c1-17-5-11-20(12-6-17)29-22(21-15-25-13-14-26-21)27-28-23(29)30-16-18-7-9-19(10-8-18)24(2,3)4/h5-15H,16H2,1-4H3