2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzoxazole Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C17H14N4OS2/c1-2-5-13-12(4-1)18-15(22-13)10-24-17-20-19-16(14-6-3-9-23-14)21(17)11-7-8-11/h1-6,9,11H,7-8,10H2