2-[(4-propan-2-ylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(4-isopropylbenzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C20H19N5OS/c1-13(2)15-9-7-14(8-10-15)11-27-20-23-17-6-4-3-5-16(17)18(26)25(20)19-21-12-22-24-19/h3-10,12-13H,11H2,1-2H3,(H,21,22,24)