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

Systemtic Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3,5-dimethylphenyl)methylthio]-4-(3-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethylphenyl)methylsulfanyl]-4-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(3,5-dimethylbenzyl)thio]-4-(3-methoxyphenyl)-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NN=CN2C3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NN=CN2C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C18H19N3OS/c1-13-7-14(2)9-15(8-13)11-23-18-20-19-12-21(18)16-5-4-6-17(10-16)22-3/h4-10,12H,11H2,1-3H3