2-[4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynylsulfanyl]-1,3-benzoxazole CAS Name: 2-[4-(1,3-benzoxazol-2-ylthio)but-2-ynylthio]-1,3-benzoxazole IUPAC Name: 2-[4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[4-(1,3-benzoxazol-2-ylthio)but-2-ynylthio]-1,3-benzoxazole Formula: C18H12N2O2S2 MolecularWeight: 352.43008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC#CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC#CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H12N2O2S2/c1-3-9-15-13(7-1)19-17(21-15)23-11-5-6-12-24-18-20-14-8-2-4-10-16(14)22-18/h1-4,7-10H,11-12H2