2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzenecarbothioic S-acid

Systemtic Name: 2-[(4-iodanyl-2-methyl-phenyl)amino]-5-nitro-benzenecarbothioic S-acid Openeye Name: 2-(4-iodo-2-methyl-anilino)-5-nitro-benzenecarbothioic S-acid CAS Name: 2-(4-iodo-2-methylanilino)-5-nitrobenzenecarbothioic S-acid IUPAC Name: 2-(4-iodo-2-methylanilino)-5-nitrobenzenecarbothioic S-acid Traditional Name: 2-(4-iodo-2-methyl-anilino)-5-nitro-thiobenzoic acid Formula: C14H11IN2O3S MolecularWeight: 414.21821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)S

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)S

InChI

InChI=1S/C14H11IN2O3S/c1-8-6-9(15)2-4-12(8)16-13-5-3-10(17(19)20)7-11(13)14(18)21/h2-7,16H,1H3,(H,18,21)