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

Systemtic Name: 4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-quinazoline Openeye Name: 4-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-quinazoline CAS Name: 4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-phenylquinazoline IUPAC Name: 4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylquinazoline Traditional Name: 4-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-quinazoline Formula: C24H19N5S2 MolecularWeight: 441.57116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)CC6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5)CC6=CC=CS6

InChI

InChI=1S/C24H19N5S2/c1-2-7-16(8-3-1)22-25-20-11-5-4-10-19(20)23(26-22)31-24-28-27-21(29(24)17-12-13-17)15-18-9-6-14-30-18/h1-11,14,17H,12-13,15H2