2-(3-phenylprop-2-ynylsulfanyl)-1,3-benzothiazole

Systemtic Name: 2-(3-phenylprop-2-ynylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(3-phenylprop-2-ynylsulfanyl)-1,3-benzothiazole CAS Name: 2-(3-phenylprop-2-ynylthio)-1,3-benzothiazole IUPAC Name: 2-(3-phenylprop-2-ynylsulfanyl)-1,3-benzothiazole Traditional Name: 2-(3-phenylprop-2-ynylthio)-1,3-benzothiazole Formula: C16H11NS2 MolecularWeight: 281.39524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C#CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H11NS2/c1-2-7-13(8-3-1)9-6-12-18-16-17-14-10-4-5-11-15(14)19-16/h1-5,7-8,10-11H,12H2