4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-quinazoline

Systemtic Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-quinazoline Openeye Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-quinazoline CAS Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-phenylquinazoline IUPAC Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylquinazoline Traditional Name: 4-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-quinazoline Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C21H19N5S/c1-2-8-14(9-3-1)18-22-17-13-7-6-12-16(17)20(23-18)27-21-24-19(25-26-21)15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,24,25,26)