8-methyl-7-oxidanyl-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3CC=C)C4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3CC=C)C4=CC=CC=C4)O

InChI

InChI=1S/C22H19N3O3S/c1-3-11-25-21(15-7-5-4-6-8-15)23-24-22(25)29-13-16-12-19(27)28-20-14(2)18(26)10-9-17(16)20/h3-10,12,26H,1,11,13H2,2H3