N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenyl)sulfanyl-pyridine-3-carboxamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(2,5-dimethylphenyl)thio]-3-pyridinecarboxamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[(2,5-dimethylphenyl)thio]nicotinamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=C(N=CC=C2)SC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H22N4OS2/c1-4-5-8-17-23-24-20(27-17)22-18(25)15-7-6-11-21-19(15)26-16-12-13(2)9-10-14(16)3/h6-7,9-12H,4-5,8H2,1-3H3,(H,22,24,25)