2-[[5-[(2-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C20H18ClN5O2S MolecularWeight: 427.90722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C)COC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC3=NN=C(N3C)COC4=CC=CC=C4Cl

InChI

InChI=1S/C20H18ClN5O2S/c1-12-6-5-7-13-18(12)22-16(23-19(13)27)11-29-20-25-24-17(26(20)2)10-28-15-9-4-3-8-14(15)21/h3-9H,10-11H2,1-2H3,(H,22,23,27)