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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C)Cl

InChI

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