5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-benzyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-N-(phenylmethyl)-1,3,4-thiadiazol-2-amine IUPAC Name: N-benzyl-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: benzyl-[5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(S3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c23-22(24)15-6-13-9-25-11-26-16(13)14(7-15)10-27-18-21-20-17(28-18)19-8-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,19,20)