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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[5-(veratrylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N5O5S/c1-27-14-7-6-11(8-15(14)28-2)10-19-17-21-22-18(29-17)20-16(24)12-4-3-5-13(9-12)23(25)26/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22,24)