N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=NNC(=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=NNC(=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H15BrN4OS/c18-12-6-3-5-11(8-12)15-19-17(22-21-15)20-16(23)14-9-10-4-1-2-7-13(10)24-14/h3,5-6,8-9H,1-2,4,7H2,(H2,19,20,21,22,23)