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

Systemtic Name: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Openeye Name: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine CAS Name: 2-[5-[(2,5-dimethylphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine IUPAC Name: 2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Traditional Name: 2-[5-[(2,5-dimethylbenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyrazine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C21H19N5S/c1-15-8-9-16(2)17(12-15)14-27-21-25-24-20(19-13-22-10-11-23-19)26(21)18-6-4-3-5-7-18/h3-13H,14H2,1-2H3