2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(2-methoxy-5-methylphenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C19H17N5O2S/c1-12-7-8-16(26-2)13(9-12)10-27-19-22-15-6-4-3-5-14(15)17(25)24(19)18-20-11-21-23-18/h3-9,11H,10H2,1-2H3,(H,20,21,23)