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

Systemtic Name: 2-[[5-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[3-(4-methoxy-3-methylphenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[3-(4-methoxy-3-methyl-phenyl)propyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CCCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H25N5O2S/c1-15-13-16(11-12-19(15)30-3)7-6-10-21-26-27-23(28(21)2)31-14-20-24-18-9-5-4-8-17(18)22(29)25-20/h4-5,8-9,11-13H,6-7,10,14H2,1-3H3,(H,24,25,29)