5-azanyl-6-(4-tert-butylphenyl)sulfanyl-2,3-dihydroinden-1-one

Systemtic Name: 5-azanyl-6-(4-tert-butylphenyl)sulfanyl-2,3-dihydroinden-1-one Openeye Name: 5-amino-6-(4-tert-butylphenyl)sulfanyl-indan-1-one CAS Name: 5-amino-6-[(4-tert-butylphenyl)thio]-2,3-dihydroinden-1-one IUPAC Name: 5-amino-6-(4-tert-butylphenyl)sulfanyl-2,3-dihydroinden-1-one Traditional Name: 5-amino-6-[(4-tert-butylphenyl)thio]indan-1-one Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C3CCC(=O)C3=C2)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C3CCC(=O)C3=C2)N

InChI

InChI=1S/C19H21NOS/c1-19(2,3)13-5-7-14(8-6-13)22-18-11-15-12(10-16(18)20)4-9-17(15)21/h5-8,10-11H,4,9,20H2,1-3H3