4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-pyridyl)quinazoline CAS Name: 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-2-(3-pyridyl)quinazoline Formula: C23H18N6S MolecularWeight: 410.49422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C23H18N6S/c1-29-20(14-16-8-3-2-4-9-16)27-28-23(29)30-22-18-11-5-6-12-19(18)25-21(26-22)17-10-7-13-24-15-17/h2-13,15H,14H2,1H3