3-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

Systemtic Name: 3-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Openeye Name: 3-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide CAS Name: 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(1,2,4-triazol-4-yl)-2-pyridinecarboxamide IUPAC Name: 3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide Traditional Name: 3-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-(1,2,4-triazol-4-yl)picolinamide Formula: C17H13BrN6OS MolecularWeight: 429.29372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=N3)N4C=NN=C4)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=N3)N4C=NN=C4)Br)C#N

InChI

InChI=1S/C17H13BrN6OS/c18-12-5-6-14(24-8-20-21-9-24)22-15(12)16(25)23-17-11(7-19)10-3-1-2-4-13(10)26-17/h5-6,8-9H,1-4H2,(H,23,25)