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

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C19H14ClN3O2S MolecularWeight: 383.85136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC=CC=C4)Cl

InChI

InChI=1S/C19H14ClN3O2S/c1-12-7-17-15(9-16(12)20)13(8-18(24)25-17)10-26-19-22-21-11-23(19)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3