6-chloranyl-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C15H14ClN3O2S MolecularWeight: 335.80856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C)Cl

InChI

InChI=1S/C15H14ClN3O2S/c1-8-4-13-11(6-12(8)16)10(5-14(20)21-13)7-22-15-18-17-9(2)19(15)3/h4-6H,7H2,1-3H3