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

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C14H12ClN3O2S MolecularWeight: 321.78198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C)Cl

InChI

InChI=1S/C14H12ClN3O2S/c1-8-3-12-10(5-11(8)15)9(4-13(19)20-12)6-21-14-17-16-7-18(14)2/h3-5,7H,6H2,1-2H3