4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-methoxy-coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-3-24-20(14-7-5-4-6-8-14)22-23-21(24)28-13-15-11-19(25)27-18-12-16(26-2)9-10-17(15)18/h4-12H,3,13H2,1-2H3