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

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H20N6O2S2 MolecularWeight: 452.5525

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5

InChI

InChI=1S/C21H20N6O2S2/c1-2-29-15-5-6-16-17(11-15)31-20(23-16)24-18(28)12-30-21-26-25-19(27(21)14-3-4-14)13-7-9-22-10-8-13/h5-11,14H,2-4,12H2,1H3,(H,23,24,28)