1-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C24H18ClN3O3S MolecularWeight: 463.93602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)COC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H18ClN3O3S/c1-28-21(13-30-18-9-7-17(25)8-10-18)26-27-24(28)32-14-16-12-22(29)31-20-11-6-15-4-2-3-5-19(15)23(16)20/h2-12H,13-14H2,1H3