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

Systemtic Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone CAS Name: [5-(butylthio)-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [5-butylsulfanyl-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [5-(butylthio)-3-(3,4-dimethoxyphenyl)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-4-5-11-28-20-22-18(14-8-9-16(26-2)17(12-14)27-3)23-24(20)19(25)15-7-6-10-21-13-15/h6-10,12-13H,4-5,11H2,1-3H3