4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N3O3S/c1-6-7-12-30-26(19-8-10-21(32-5)11-9-19)28-29-27(30)34-16-20-14-25(31)33-24-13-18(4)22(17(2)3)15-23(20)24/h8-11,13-15,17H,6-7,12,16H2,1-5H3