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

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(4-tert-butylbenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C23H23N5S/c1-23(2,3)18-11-9-17(10-12-18)16-29-22-27-26-21(20-15-24-13-14-25-20)28(22)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3