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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C19H15BrN6OS2/c1-2-8-26-17(12-4-3-7-21-10-12)24-25-19(26)28-11-16(27)23-18-22-14-6-5-13(20)9-15(14)29-18/h2-7,9-10H,1,8,11H2,(H,22,23,27)