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

Systemtic Name: N-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine Openeye Name: N-[2-[[4-(dimethylaminomethyl)-2-pyridyl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine CAS Name: N-[2-[[4-(dimethylaminomethyl)-2-pyridinyl]methylthio]ethyl]-3-nitro-1H-pyrrol-2-amine IUPAC Name: N-[2-[[4-(dimethylaminomethyl)pyridin-2-yl]methylsulfanyl]ethyl]-3-nitro-1H-pyrrol-2-amine Traditional Name: dimethyl-[[2-[[2-[(3-nitro-1H-pyrrol-2-yl)amino]ethylthio]methyl]-4-pyridyl]methyl]amine Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC(=NC=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC(=NC=C1)CSCCNC2=C(C=CN2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O2S/c1-19(2)10-12-3-5-16-13(9-12)11-23-8-7-18-15-14(20(21)22)4-6-17-15/h3-6,9,17-18H,7-8,10-11H2,1-2H3