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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C21H20N6OS2/c1-26(12-18-23-16-4-2-3-5-17(16)30-18)19(28)13-29-21-25-24-20(27(21)15-6-7-15)14-8-10-22-11-9-14/h2-5,8-11,15H,6-7,12-13H2,1H3