N-[(2-methyl-1H-indol-3-yl)-thiophen-2-yl-methyl]-3-nitro-aniline

Systemtic Name: N-[(2-methyl-1H-indol-3-yl)-thiophen-2-yl-methyl]-3-nitro-aniline Openeye Name: N-[(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]-3-nitro-aniline CAS Name: N-[(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]-3-nitroaniline IUPAC Name: N-[(2-methyl-1H-indol-3-yl)-thiophen-2-ylmethyl]-3-nitroaniline Traditional Name: [(2-methyl-1H-indol-3-yl)-(2-thienyl)methyl]-(3-nitrophenyl)amine Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CS3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C3=CC=CS3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O2S/c1-13-19(16-8-2-3-9-17(16)21-13)20(18-10-5-11-26-18)22-14-6-4-7-15(12-14)23(24)25/h2-12,20-22H,1H3