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

Systemtic Name: 7-methyl-4-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[4-isopentyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[4-isoamyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC(C)C)COC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC(C)C)COC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-17(2)11-12-28-23(15-30-20-7-5-4-6-8-20)26-27-25(28)32-16-19-14-24(29)31-22-13-18(3)9-10-21(19)22/h4-10,13-14,17H,11-12,15-16H2,1-3H3