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

Systemtic Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-quinazoline Openeye Name: 4-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-quinazoline CAS Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenylquinazoline IUPAC Name: 4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylquinazoline Traditional Name: 4-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-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=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CC=CS5

InChI

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