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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H15BrN6OS2 MolecularWeight: 487.396

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=NC4=C(S3)C=C(C=C4)Br)C5=CC=NC=C5

InChI

InChI=1S/C19H15BrN6OS2/c20-12-1-4-14-15(9-12)29-18(22-14)23-16(27)10-28-19-25-24-17(26(19)13-2-3-13)11-5-7-21-8-6-11/h1,4-9,13H,2-3,10H2,(H,22,23,27)