2-[2-[[5-(dimethylaminomethyl)-4-methyl-furan-2-yl]methylsulfanyl]ethyl]-1-nitro-guanidine

Systemtic Name: 2-[2-[[5-(dimethylaminomethyl)-4-methyl-furan-2-yl]methylsulfanyl]ethyl]-1-nitro-guanidine Openeye Name: 2-[2-[[5-(dimethylaminomethyl)-4-methyl-2-furyl]methylsulfanyl]ethyl]-1-nitro-guanidine CAS Name: 2-[2-[[5-(dimethylaminomethyl)-4-methyl-2-furanyl]methylthio]ethyl]-1-nitroguanidine IUPAC Name: 2-[2-[[5-(dimethylaminomethyl)-4-methylfuran-2-yl]methylsulfanyl]ethyl]-1-nitroguanidine Traditional Name: 2-[2-[[5-(dimethylaminomethyl)-4-methyl-2-furyl]methylthio]ethyl]-1-nitro-guanidine Formula: C12H21N5O3S MolecularWeight: 315.39184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O3S/c1-9-6-10(20-11(9)7-16(2)3)8-21-5-4-14-12(13)15-17(18)19/h6H,4-5,7-8H2,1-3H3,(H3,13,14,15)