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

Systemtic Name: 6-ethyl-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=C(OC=C4)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=C(OC=C4)C)O

InChI

InChI=1S/C20H19N3O4S/c1-4-12-7-15-13(8-18(25)27-17(15)9-16(12)24)10-28-20-22-21-19(23(20)3)14-5-6-26-11(14)2/h5-9,24H,4,10H2,1-3H3