N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[(3,4-dichlorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[(3,4-dichlorobenzyl)amino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C16H11Cl2N5O3S MolecularWeight: 424.26124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

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