3-[(2,5-dimethylphenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3S/c1-13-9-10-14(2)16(11-13)12-22-18-20-19-15(3)21(18)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3