7-ethyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 7-ethyl-4-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-ethyl-coumarin Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC=C)C

InChI

InChI=1S/C18H19N3O2S/c1-4-8-21-12(3)19-20-18(21)24-11-14-10-17(22)23-16-9-13(5-2)6-7-15(14)16/h4,6-7,9-10H,1,5,8,11H2,2-3H3