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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-(m-tolylmethylsulfanyl)-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[(3-methylphenyl)methylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(3-methylbenzyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C18H15N5OS MolecularWeight: 349.4096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5OS/c1-12-5-4-6-13(9-12)10-25-18-21-15-8-3-2-7-14(15)16(24)23(18)17-19-11-20-22-17/h2-9,11H,10H2,1H3,(H,19,20,22)