5-(2-dimethylaminoethylsulfanyl)-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(2-dimethylaminoethylsulfanyl)-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-(2-dimethylaminoethylsulfanyl)-N-[[5-(4-nitrophenyl)-2-furyl]methyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-(2-dimethylaminoethylthio)-N-[[5-(4-nitrophenyl)-2-furanyl]methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2-dimethylaminoethylsulfanyl)-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine Traditional Name: dimethyl-[2-[[5-[[5-(4-nitrophenyl)-2-furyl]methylamino]-1,3,4-thiadiazol-2-yl]thio]ethyl]amine Formula: C17H19N5O3S2 MolecularWeight: 405.49446

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NN=C(S1)NCC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCSC1=NN=C(S1)NCC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N5O3S2/c1-21(2)9-10-26-17-20-19-16(27-17)18-11-14-7-8-15(25-14)12-3-5-13(6-4-12)22(23)24/h3-8H,9-11H2,1-2H3,(H,18,19)