2-chloranyl-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-[(2-methyl-1H-indol-3-yl)thio]ethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-[(2-methyl-1H-indol-3-yl)thio]ethyl]-5-nitro-benzamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)SCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-11-17(13-4-2-3-5-16(13)21-11)26-9-8-20-18(23)14-10-12(22(24)25)6-7-15(14)19/h2-7,10,21H,8-9H2,1H3,(H,20,23)