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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H20N6OS2 MolecularWeight: 436.5531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)C

InChI

InChI=1S/C21H20N6OS2/c1-12-9-13(2)18-16(10-12)30-20(24-18)23-17(28)11-29-21-26-25-19(27(21)15-3-4-15)14-5-7-22-8-6-14/h5-10,15H,3-4,11H2,1-2H3,(H,23,24,28)