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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CS4)O

InChI

InChI=1S/C18H15N3O3S2/c1-2-10-6-12-11(7-16(23)24-14(12)8-13(10)22)9-26-18-19-17(20-21-18)15-4-3-5-25-15/h3-8,22H,2,9H2,1H3,(H,19,20,21)