N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=NC3=C(C=C(C=C3S2)C)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=NC3=C(C=C(C=C3S2)C)C)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6OS2/c1-4-9-27-19(15-5-7-22-8-6-15)25-26-21(27)29-12-17(28)23-20-24-18-14(3)10-13(2)11-16(18)30-20/h5-8,10-11H,4,9,12H2,1-3H3,(H,23,24,28)