[5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone

Systemtic Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone Openeye Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(2-furyl)methanone CAS Name: [5-(butylthio)-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(2-furanyl)methanone IUPAC Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone Traditional Name: [5-(butylthio)-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(2-furyl)methanone Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NN1C(=O)C2=CC=CO2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCSC1=NC(=NN1C(=O)C2=CC=CO2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N3O4S/c1-4-5-11-27-19-20-17(13-8-9-14(24-2)16(12-13)25-3)21-22(19)18(23)15-7-6-10-26-15/h6-10,12H,4-5,11H2,1-3H3