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

Systemtic Name: 8-methyl-4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)CC4=CC=CC=C4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NN=C(N3C)CC4=CC=CC=C4)O

InChI

InChI=1S/C21H19N3O3S/c1-13-17(25)9-8-16-15(11-19(26)27-20(13)16)12-28-21-23-22-18(24(21)2)10-14-6-4-3-5-7-14/h3-9,11,25H,10,12H2,1-2H3