ethyl 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2C

InChI

InChI=1S/C16H19N3O2S/c1-4-10-19-15(13-9-7-6-8-12(13)3)17-18-16(19)22-11-14(20)21-5-2/h4,6-9H,1,5,10-11H2,2-3H3