[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone

Systemtic Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Openeye Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone CAS Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone IUPAC Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Traditional Name: [4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(3,5-dinitrophenyl)methanone Formula: C21H19ClN6O5S MolecularWeight: 502.93076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN6O5S/c22-16-4-2-14(3-5-16)10-19-23-21(34-24-19)26-7-1-6-25(8-9-26)20(29)15-11-17(27(30)31)13-18(12-15)28(32)33/h2-5,11-13H,1,6-10H2