N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-chloranyl-4-nitro-benzamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-chloranyl-4-nitro-benzamide Openeye Name: 3-chloro-4-nitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-3-chloro-4-nitrobenzamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-chloro-4-nitrobenzamide Traditional Name: 3-chloro-4-nitro-N-[4-(4-sec-butylphenyl)thiazol-2-yl]benzamide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-3-12(2)13-4-6-14(7-5-13)17-11-28-20(22-17)23-19(25)15-8-9-18(24(26)27)16(21)10-15/h4-12H,3H2,1-2H3,(H,22,23,25)