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

Systemtic Name: 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-thiophen-3-yl-quinazoline Openeye Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(3-thienyl)quinazoline CAS Name: 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-2-(3-thiophenyl)quinazoline IUPAC Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-thiophen-3-ylquinazoline Traditional Name: 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-2-(3-thienyl)quinazoline Formula: C22H17N5S2 MolecularWeight: 415.53388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5S2/c1-27-19(13-15-7-3-2-4-8-15)25-26-22(27)29-21-17-9-5-6-10-18(17)23-20(24-21)16-11-12-28-14-16/h2-12,14H,13H2,1H3