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

Systemtic Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-thiophen-2-yl-methanone Openeye Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone CAS Name: [5-(butylthio)-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone IUPAC Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-thiophen-2-ylmethanone Traditional Name: [5-(butylthio)-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(2-thienyl)methanone Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=NN1C(=O)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCSC1=NC(=NN1C(=O)C2=CC=CS2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N3O3S2/c1-4-5-10-27-19-20-17(13-8-9-14(24-2)15(12-13)25-3)21-22(19)18(23)16-7-6-11-26-16/h6-9,11-12H,4-5,10H2,1-3H3