4-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-[(3,4-dichlorophenyl)methylamino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-[(3,4-dichlorobenzyl)amino]-3-nitro-2-(1,3,4-thiadiazol-2-yl)benzamide Formula: C16H11Cl2N5O3S MolecularWeight: 424.26124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H11Cl2N5O3S/c17-10-3-1-8(5-11(10)18)6-20-12-4-2-9(15(19)24)13(14(12)23(25)26)16-22-21-7-27-16/h1-5,7,20H,6H2,(H2,19,24)