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

Systemtic Name: 6-chloranyl-7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(5-phenyl-1H-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=NNC(=N3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=CC=C4)Cl

InChI

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