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

Systemtic Name: 1-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Openeye Name: 1-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one CAS Name: 1-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzo[f]chromen-3-one Traditional Name: 1-[[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzo[f]chromen-3-one Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H25N3O3S/c1-3-4-15-30-26(19-9-12-21(32-2)13-10-19)28-29-27(30)34-17-20-16-24(31)33-23-14-11-18-7-5-6-8-22(18)25(20)23/h5-14,16H,3-4,15,17H2,1-2H3