1-[2-(2,4-dinitrophenyl)sulfanyl-1H-indol-3-yl]-3-methoxy-N-methyl-propan-2-amine

Systemtic Name: 1-[2-(2,4-dinitrophenyl)sulfanyl-1H-indol-3-yl]-3-methoxy-N-methyl-propan-2-amine Openeye Name: 1-[2-(2,4-dinitrophenyl)sulfanyl-1H-indol-3-yl]-3-methoxy-N-methyl-propan-2-amine CAS Name: 1-[2-[(2,4-dinitrophenyl)thio]-1H-indol-3-yl]-3-methoxy-N-methyl-2-propanamine IUPAC Name: 1-[2-(2,4-dinitrophenyl)sulfanyl-1H-indol-3-yl]-3-methoxy-N-methylpropan-2-amine Traditional Name: [1-[[2-[(2,4-dinitrophenyl)thio]-1H-indol-3-yl]methyl]-2-methoxy-ethyl]-methyl-amine Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=C(NC2=CC=CC=C21)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])COC

Isomeric SMILES

CNC(CC1=C(NC2=CC=CC=C21)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])COC

InChI

InChI=1S/C19H20N4O5S/c1-20-12(11-28-2)9-15-14-5-3-4-6-16(14)21-19(15)29-18-8-7-13(22(24)25)10-17(18)23(26)27/h3-8,10,12,20-21H,9,11H2,1-2H3