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

Systemtic Name: 3-chloranyl-N-[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methyl-5-benzotriazolyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-[4-(diethylamino)-2-methyl-phenyl]-6-methyl-benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C27H25ClN6O3S MolecularWeight: 549.0438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=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)C

Isomeric SMILES

CCN(CC)C1=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)C

InChI

InChI=1S/C27H25ClN6O3S/c1-5-32(6-2)17-10-11-22(16(4)12-17)33-30-20-13-15(3)19(14-21(20)31-33)29-27(35)26-24(28)18-8-7-9-23(34(36)37)25(18)38-26/h7-14H,5-6H2,1-4H3,(H,29,35)