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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

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