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

Systemtic Name: 6-ethyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 6-ethyl-4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-coumarin Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-3-14-10-17-16(11-20(27)28-19(17)12-18(14)26)13-29-22-24-23-21(25(22)4-2)15-8-6-5-7-9-15/h5-12,26H,3-4,13H2,1-2H3