3-chloranyl-N-(6-methyl-2-phenyl-benzotriazol-5-yl)-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(6-methyl-2-phenyl-benzotriazol-5-yl)-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(6-methyl-2-phenyl-benzotriazol-5-yl)-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(6-methyl-2-phenyl-5-benzotriazolyl)-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(6-methyl-2-phenylbenzotriazol-5-yl)-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(6-methyl-2-phenyl-benzotriazol-5-yl)-7-nitro-benzothiophene-2-carboxamide Formula: C22H14ClN5O3S MolecularWeight: 463.89626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H14ClN5O3S/c1-12-10-16-17(26-27(25-16)13-6-3-2-4-7-13)11-15(12)24-22(29)21-19(23)14-8-5-9-18(28(30)31)20(14)32-21/h2-11H,1H3,(H,24,29)