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

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[4-allyl-5-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(4-tert-butylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[4-allyl-5-[(4-tert-butylbenzyl)thio]-1,2,4-triazol-3-yl]pyrazine Formula: C20H23N5S MolecularWeight: 365.49512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=NC=CN=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=NC=CN=C3

InChI

InChI=1S/C20H23N5S/c1-5-12-25-18(17-13-21-10-11-22-17)23-24-19(25)26-14-15-6-8-16(9-7-15)20(2,3)4/h5-11,13H,1,12,14H2,2-4H3