6-chloranyl-7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Openeye Name: 6-chloro-7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarin Formula: C13H10ClN3O2S MolecularWeight: 307.7554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NN3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC=NN3)Cl

InChI

InChI=1S/C13H10ClN3O2S/c1-7-2-11-9(4-10(7)14)8(3-12(18)19-11)5-20-13-15-6-16-17-13/h2-4,6H,5H2,1H3,(H,15,16,17)