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

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C26H22ClN5O3S MolecularWeight: 520.00258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C26H22ClN5O3S/c1-3-4-6-16-9-11-17(12-10-16)31-29-20-13-15(2)19(14-21(20)30-31)28-26(33)25-23(27)18-7-5-8-22(32(34)35)24(18)36-25/h5,7-14H,3-4,6H2,1-2H3,(H,28,33)