2-[3-azanyl-5-(ethylsulfanylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-azanyl-5-(ethylsulfanylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[3-amino-5-(ethylsulfanylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[3-amino-5-[(ethylthio)methyl]-1H-pyrazol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[3-amino-5-(ethylsulfanylmethyl)-1H-pyrazol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[3-amino-5-[(ethylthio)methyl]-1H-pyrazol-4-yl]-1H-quinazolin-4-one Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(C(=NN1)N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCSCC1=C(C(=NN1)N)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H15N5OS/c1-2-21-7-10-11(12(15)19-18-10)13-16-9-6-4-3-5-8(9)14(20)17-13/h3-6H,2,7H2,1H3,(H3,15,18,19)(H,16,17,20)