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

Systemtic Name: 7-methyl-4-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-7-methyl-coumarin Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O2S/c1-14-8-9-18-17(11-20(25)26-19(18)10-14)13-27-21-23-22-15(2)24(21)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3