6-ethyl-4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CC4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H23N3O3S/c1-3-16-11-18-17(12-22(28)29-20(18)13-19(16)27)14-30-23-25-24-21(26(23)4-2)10-15-8-6-5-7-9-15/h5-9,11-13,27H,3-4,10,14H2,1-2H3