2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N5O2S/c1-13-7-9-14(10-8-13)27-11-18-23-24-20(25(18)2)28-12-17-21-16-6-4-3-5-15(16)19(26)22-17/h3-10H,11-12H2,1-2H3,(H,21,22,26)