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

Systemtic Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(4-butylphenyl)-5-benzotriazolyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-butylphenyl)benzotriazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C25H20ClN5O3S MolecularWeight: 505.976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN5O3S/c1-2-3-5-15-8-11-17(12-9-15)30-28-19-13-10-16(14-20(19)29-30)27-25(32)24-22(26)18-6-4-7-21(31(33)34)23(18)35-24/h4,6-14H,2-3,5H2,1H3,(H,27,32)