1-azanyl-5-(3-chloranyl-4-methyl-phenyl)sulfanyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-5-(3-chloranyl-4-methyl-phenyl)sulfanyl-anthracene-9,10-dione Openeye Name: 1-amino-5-(3-chloro-4-methyl-phenyl)sulfanyl-anthracene-9,10-dione CAS Name: 1-amino-5-[(3-chloro-4-methylphenyl)thio]anthracene-9,10-dione IUPAC Name: 1-amino-5-(3-chloro-4-methylphenyl)sulfanylanthracene-9,10-dione Traditional Name: 1-amino-5-[(3-chloro-4-methyl-phenyl)thio]-9,10-anthraquinone Formula: C21H14ClNO2S MolecularWeight: 379.85936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N)Cl

InChI

InChI=1S/C21H14ClNO2S/c1-11-8-9-12(10-15(11)22)26-17-7-3-5-14-19(17)21(25)13-4-2-6-16(23)18(13)20(14)24/h2-10H,23H2,1H3