N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2,4-dinitro-aniline Openeye Name: N-[(3-methylbenzothiophen-2-yl)methyl]-2,4-dinitro-aniline CAS Name: N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2,4-dinitroaniline IUPAC Name: N-[(3-methyl-1-benzothiophen-2-yl)methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(3-methylbenzothiophen-2-yl)methyl]amine Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c1-10-12-4-2-3-5-15(12)24-16(10)9-17-13-7-6-11(18(20)21)8-14(13)19(22)23/h2-8,17H,9H2,1H3