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

Systemtic Name: 8-methyl-7-oxidanyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O3S/c1-3-10-25-20(14-6-8-22-9-7-14)23-24-21(25)29-12-15-11-18(27)28-19-13(2)17(26)5-4-16(15)19/h3-9,11,26H,1,10,12H2,2H3