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

Systemtic Name: 6-chloranyl-7-ethyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC=CC=C4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H16ClN3O2S/c1-2-13-8-18-16(10-17(13)21)14(9-19(25)26-18)11-27-20-23-22-12-24(20)15-6-4-3-5-7-15/h3-10,12H,2,11H2,1H3