3-chloranyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]benzothiophene-2-carboxamide Formula: C22H15ClN4O2S MolecularWeight: 434.8981

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C22H15ClN4O2S/c1-29-15-9-7-14(8-10-15)27-25-17-11-6-13(12-18(17)26-27)24-22(28)21-20(23)16-4-2-3-5-19(16)30-21/h2-12H,1H3,(H,24,28)