1-[(1R)-1-phenylsulfanylbut-3-enyl]benzotriazole

Systemtic Name: 1-[(1R)-1-phenylsulfanylbut-3-enyl]benzotriazole Openeye Name: 1-[(1R)-1-phenylsulfanylbut-3-enyl]benzotriazole CAS Name: 1-[(1R)-1-(phenylthio)but-3-enyl]benzotriazole IUPAC Name: 1-[(1R)-1-phenylsulfanylbut-3-enyl]benzotriazole Traditional Name: 1-[(1R)-1-(phenylthio)but-3-enyl]benzotriazole Formula: C16H15N3S MolecularWeight: 281.3754

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3

Isomeric SMILES

C=CC[C@H](N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3

InChI

InChI=1S/C16H15N3S/c1-2-8-16(20-13-9-4-3-5-10-13)19-15-12-7-6-11-14(15)17-18-19/h2-7,9-12,16H,1,8H2/t16-/m1/s1