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

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

COCCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-28-12-11-26-19(13-15-7-3-2-4-8-15)24-25-21(26)29-14-18-22-17-10-6-5-9-16(17)20(27)23-18/h2-10H,11-14H2,1H3,(H,22,23,27)