2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1H-quinazoline-4-thione

Systemtic Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1H-quinazoline-4-thione Openeye Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1H-quinazoline-4-thione CAS Name: 2-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methylthio]-1H-quinazoline-4-thione IUPAC Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methylsulfanyl]-1H-quinazoline-4-thione Traditional Name: 2-[[4-(3,5-dimethylpyrazol-1-yl)benzyl]thio]-1H-quinazoline-4-thione Formula: C20H18N4S2 MolecularWeight: 378.51372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CSC3=NC(=S)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CSC3=NC(=S)C4=CC=CC=C4N3)C

InChI

InChI=1S/C20H18N4S2/c1-13-11-14(2)24(23-13)16-9-7-15(8-10-16)12-26-20-21-18-6-4-3-5-17(18)19(25)22-20/h3-11H,12H2,1-2H3,(H,21,22,25)