2-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-nitro-guanidine

Systemtic Name: 2-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-nitro-guanidine Openeye Name: 2-[2-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylsulfanyl]ethyl]-1-nitro-guanidine CAS Name: 2-[2-[[6-(dimethylaminomethyl)-2-benzofuranyl]methylthio]ethyl]-1-nitroguanidine IUPAC Name: 2-[2-[[6-(dimethylaminomethyl)-1-benzofuran-2-yl]methylsulfanyl]ethyl]-1-nitroguanidine Traditional Name: 2-[2-[[6-(dimethylaminomethyl)benzofuran-2-yl]methylthio]ethyl]-1-nitro-guanidine Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCN=C(N)N[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC2=C(C=C1)C=C(O2)CSCCN=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O3S/c1-19(2)9-11-3-4-12-8-13(23-14(12)7-11)10-24-6-5-17-15(16)18-20(21)22/h3-4,7-8H,5-6,9-10H2,1-2H3,(H3,16,17,18)