5-methyl-3-oxidanylidene-2-[1-[4-(sulfinoamino)phenyl]ethyl]-1H-pyrazole

Systemtic Name: 5-methyl-3-oxidanylidene-2-[1-[4-(sulfinoamino)phenyl]ethyl]-1H-pyrazole Openeye Name: 5-methyl-3-oxo-2-[1-[4-(sulfinoamino)phenyl]ethyl]-1H-pyrazole CAS Name: 5-methyl-3-oxo-2-[1-[4-(sulfinoamino)phenyl]ethyl]-1H-pyrazole IUPAC Name: 5-methyl-3-oxo-2-[1-[4-(sulfinoamino)phenyl]ethyl]-1H-pyrazole Traditional Name: 5-keto-3-methyl-1-[1-[4-(sulfinoamino)phenyl]ethyl]-3-pyrazoline Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C(C)C2=CC=C(C=C2)NS(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C(C)C2=CC=C(C=C2)NS(=O)O

InChI

InChI=1S/C12H15N3O3S/c1-8-7-12(16)15(13-8)9(2)10-3-5-11(6-4-10)14-19(17)18/h3-7,9,13-14H,1-2H3,(H,17,18)