3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SC3CCOC3=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SC3CCOC3=O)C4=CC=CC=C4)C

InChI

InChI=1S/C20H19N3O2S/c1-13-8-9-16(12-14(13)2)23-18(15-6-4-3-5-7-15)21-22-20(23)26-17-10-11-25-19(17)24/h3-9,12,17H,10-11H2,1-2H3