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

Systemtic Name: 7-methoxy-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-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[4-(3-methylbutyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-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-methoxy-coumarin Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)COC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)OC)COC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-17(2)11-12-28-23(15-31-19-7-5-4-6-8-19)26-27-25(28)33-16-18-13-24(29)32-22-14-20(30-3)9-10-21(18)22/h4-10,13-14,17H,11-12,15-16H2,1-3H3