N-[(1S,2R)-2-(benzotriazol-1-yl)-1-thiophen-3-yl-but-3-enyl]aniline

Systemtic Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-thiophen-3-yl-but-3-enyl]aniline Openeye Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-(3-thienyl)but-3-enyl]aniline CAS Name: N-[(1S,2R)-2-(1-benzotriazolyl)-1-(3-thiophenyl)but-3-enyl]aniline IUPAC Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-thiophen-3-ylbut-3-enyl]aniline Traditional Name: [(1S,2R)-2-(benzotriazol-1-yl)-1-(3-thienyl)but-3-enyl]-phenyl-amine Formula: C20H18N4S MolecularWeight: 346.44872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C1=CSC=C1)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C=C[C@H]([C@H](C1=CSC=C1)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H18N4S/c1-2-18(24-19-11-7-6-10-17(19)22-23-24)20(15-12-13-25-14-15)21-16-8-4-3-5-9-16/h2-14,18,20-21H,1H2/t18-,20+/m1/s1