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

Systemtic Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4CC4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4CC4)O

InChI

InChI=1S/C18H19N3O3S/c1-3-10-6-13-12(7-16(23)24-15(13)8-14(10)22)9-25-18-20-19-17(21(18)2)11-4-5-11/h6-8,11,22H,3-5,9H2,1-2H3