N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitro-4-(phenylmethyl)-1H-pyrrol-2-amine

Systemtic Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitro-4-(phenylmethyl)-1H-pyrrol-2-amine Openeye Name: 4-benzyl-N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-3-nitro-4-(phenylmethyl)-1H-pyrrol-2-amine IUPAC Name: 4-benzyl-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine Traditional Name: [5-[[2-[(4-benzyl-3-nitro-1H-pyrrol-2-yl)amino]ethylthio]methyl]-2-furyl]methyl-dimethyl-amine Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC2=C(C(=CN2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC2=C(C(=CN2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3S/c1-24(2)14-18-8-9-19(28-18)15-29-11-10-22-21-20(25(26)27)17(13-23-21)12-16-6-4-3-5-7-16/h3-9,13,22-23H,10-12,14-15H2,1-2H3