4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3-benzothiazol-6-amine

Systemtic Name: 4-azanyl-1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3-benzothiazol-6-amine Openeye Name: 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one; 1,3-benzothiazol-6-amine CAS Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolone; 1,3-benzothiazol-6-amine IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one; 1,3-benzothiazol-6-amine Traditional Name: 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one; 1,3-benzothiazol-6-ylamine Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.C1=CC2=C(C=C1N)SC=N2

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N.C1=CC2=C(C=C1N)SC=N2

InChI

InChI=1S/C11H13N3O.C7H6N2S/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;8-5-1-2-6-7(3-5)10-4-9-6/h3-7H,12H2,1-2H3;1-4H,8H2