N-[(1S)-1-(benzotriazol-1-yl)but-3-enyl]-4-methoxy-benzenecarbothioamide

Systemtic Name: N-[(1S)-1-(benzotriazol-1-yl)but-3-enyl]-4-methoxy-benzenecarbothioamide Openeye Name: N-[(1S)-1-(benzotriazol-1-yl)but-3-enyl]-4-methoxy-benzenecarbothioamide CAS Name: N-[(1S)-1-(1-benzotriazolyl)but-3-enyl]-4-methoxybenzenecarbothioamide IUPAC Name: N-[(1S)-1-(benzotriazol-1-yl)but-3-enyl]-4-methoxybenzenecarbothioamide Traditional Name: N-[(1S)-1-(benzotriazol-1-yl)but-3-enyl]-4-methoxy-thiobenzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)NC(CC=C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)N[C@H](CC=C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H18N4OS/c1-3-6-17(22-16-8-5-4-7-15(16)20-21-22)19-18(24)13-9-11-14(23-2)12-10-13/h3-5,7-12,17H,1,6H2,2H3,(H,19,24)/t17-/m0/s1