4-(1,3-benzothiazol-2-yl)-2-ethynyl-aniline

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-2-ethynyl-aniline Openeye Name: 4-(1,3-benzothiazol-2-yl)-2-ethynyl-aniline CAS Name: 4-(1,3-benzothiazol-2-yl)-2-ethynylaniline IUPAC Name: 4-(1,3-benzothiazol-2-yl)-2-ethynylaniline Traditional Name: [4-(1,3-benzothiazol-2-yl)-2-ethynyl-phenyl]amine Formula: C15H10N2S MolecularWeight: 250.3183

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N

Isomeric SMILES

C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C15H10N2S/c1-2-10-9-11(7-8-12(10)16)15-17-13-5-3-4-6-14(13)18-15/h1,3-9H,16H2