2,5-dimethyl-6-nitro-N-(phenylmethyl)-3-phenylsulfanyl-aniline

Systemtic Name: 2,5-dimethyl-6-nitro-N-(phenylmethyl)-3-phenylsulfanyl-aniline Openeye Name: N-benzyl-2,5-dimethyl-6-nitro-3-phenylsulfanyl-aniline CAS Name: 2,5-dimethyl-6-nitro-N-(phenylmethyl)-3-(phenylthio)aniline IUPAC Name: N-benzyl-2,5-dimethyl-6-nitro-3-phenylsulfanylaniline Traditional Name: benzyl-[2,5-dimethyl-6-nitro-3-(phenylthio)phenyl]amine Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1[N+](=O)[O-])NCC2=CC=CC=C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-15-13-19(26-18-11-7-4-8-12-18)16(2)20(21(15)23(24)25)22-14-17-9-5-3-6-10-17/h3-13,22H,14H2,1-2H3