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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3CCOC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3CCOC)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-3-11-6-15-13(8-14(11)18)12(7-16(22)24-15)9-25-17-20-19-10-21(17)4-5-23-2/h6-8,10H,3-5,9H2,1-2H3