N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[(4-bromophenyl)methyl]-1,2,4-triazol-3-yl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[1-(4-bromobenzyl)-1,2,4-triazol-3-yl]-3-chloro-benzothiophene-2-carboxamide Formula: C18H12BrClN4OS MolecularWeight: 447.73608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NN(C=N3)CC4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NN(C=N3)CC4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C18H12BrClN4OS/c19-12-7-5-11(6-8-12)9-24-10-21-18(23-24)22-17(25)16-15(20)13-3-1-2-4-14(13)26-16/h1-8,10H,9H2,(H,22,23,25)