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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[4-cyclopropyl-5-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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