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

Systemtic Name: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(2,5-dimethylphenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(2,5-dimethylbenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]pyrazine Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=NC=CN=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C)C3=NC=CN=C3

InChI

InChI=1S/C16H17N5S/c1-11-4-5-12(2)13(8-11)10-22-16-20-19-15(21(16)3)14-9-17-6-7-18-14/h4-9H,10H2,1-3H3