1-(5-chloranyl-2-methyl-phenyl)-2,3-dimethyl-indol-1-ium-1-carbothioic S-acid

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-2,3-dimethyl-indol-1-ium-1-carbothioic S-acid Openeye Name: 1-(5-chloro-2-methyl-phenyl)-2,3-dimethyl-indol-1-ium-1-carbothioic S-acid CAS Name: 1-(5-chloro-2-methylphenyl)-2,3-dimethyl-1-indol-1-iumcarbothioic S-acid IUPAC Name: 1-(5-chloro-2-methylphenyl)-2,3-dimethylindol-1-ium-1-carbothioic S-acid Traditional Name: 1-(5-chloro-2-methyl-phenyl)-2,3-dimethyl-indol-1-ium-1-carbothioic S-acid Formula: C18H17ClNOS+ MolecularWeight: 330.85168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)[N+]2(C(=C(C3=CC=CC=C32)C)C)C(=O)S

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)[N+]2(C(=C(C3=CC=CC=C32)C)C)C(=O)S

InChI

InChI=1S/C18H16ClNOS/c1-11-8-9-14(19)10-17(11)20(18(21)22)13(3)12(2)15-6-4-5-7-16(15)20/h4-10H,1-3H3/p+1