4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3CCOC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3CCOC)C

InChI

InChI=1S/C17H19N3O3S/c1-11-6-14-13(8-16(21)23-15(14)7-12(11)2)9-24-17-19-18-10-20(17)4-5-22-3/h6-8,10H,4-5,9H2,1-3H3