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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-ethyl-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-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide Formula: C16H16BrN5OS2 MolecularWeight: 438.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C16H16BrN5OS2/c1-3-7-22-13(4-2)20-21-16(22)24-9-14(23)19-15-18-11-6-5-10(17)8-12(11)25-15/h3,5-6,8H,1,4,7,9H2,2H3,(H,18,19,23)