3-chloranyl-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H16ClN5O4S MolecularWeight: 493.92224

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClN5O4S/c1-12-10-17-18(27-28(26-17)13-6-8-14(33-2)9-7-13)11-16(12)25-23(30)22-20(24)15-4-3-5-19(29(31)32)21(15)34-22/h3-11H,1-2H3,(H,25,30)