1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitro-2-(2-oxidanyl-2-phenyl-ethyl)guanidine

Systemtic Name: 1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitro-2-(2-oxidanyl-2-phenyl-ethyl)guanidine Openeye Name: 1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-(2-hydroxy-2-phenyl-ethyl)-3-nitro-guanidine CAS Name: 1-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-2-(2-hydroxy-2-phenylethyl)-3-nitroguanidine IUPAC Name: 1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-2-(2-hydroxy-2-phenylethyl)-3-nitroguanidine Traditional Name: 1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-2-(2-hydroxy-2-phenyl-ethyl)-3-nitro-guanidine Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=NCC(C2=CC=CC=C2)O)N[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC(=NCC(C2=CC=CC=C2)O)N[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O4S/c1-23(2)13-16-8-9-17(28-16)14-29-11-10-20-19(22-24(26)27)21-12-18(25)15-6-4-3-5-7-15/h3-9,18,25H,10-14H2,1-2H3,(H2,20,21,22)