2-azanyl-6-methyl-benzenethiol; 4-chloranylbenzene-1,3-diamine; 4-methoxybenzene-1,3-diamine

Systemtic Name: 2-azanyl-6-methyl-benzenethiol; 4-chloranylbenzene-1,3-diamine; 4-methoxybenzene-1,3-diamine Openeye Name: 2-amino-6-methyl-benzenethiol; 4-chlorobenzene-1,3-diamine; 4-methoxybenzene-1,3-diamine CAS Name: 2-amino-6-methylbenzenethiol; 4-chlorobenzene-1,3-diamine; 4-methoxybenzene-1,3-diamine IUPAC Name: 2-amino-6-methylbenzenethiol; 4-chlorobenzene-1,3-diamine; 4-methoxybenzene-1,3-diamine Traditional Name: (3-amino-4-chloro-phenyl)amine; (3-amino-4-methoxy-phenyl)amine; 2-amino-6-methyl-benzenethiol Formula: C20H26ClN5OS MolecularWeight: 419.97134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N)S.COC1=C(C=C(C=C1)N)N.C1=CC(=C(C=C1N)N)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)N)S.COC1=C(C=C(C=C1)N)N.C1=CC(=C(C=C1N)N)Cl

InChI

InChI=1S/C7H10N2O.C7H9NS.C6H7ClN2/c1-10-7-3-2-5(8)4-6(7)9;1-5-3-2-4-6(8)7(5)9;7-5-2-1-4(8)3-6(5)9/h2-4H,8-9H2,1H3;2-4,9H,8H2,1H3;1-3H,8-9H2