(2S)-2-(benzotriazol-1-yl)-2-ethyl-N-phenyl-but-3-enethioamide

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-2-ethyl-N-phenyl-but-3-enethioamide Openeye Name: (2S)-2-(benzotriazol-1-yl)-2-ethyl-N-phenyl-but-3-enethioamide CAS Name: (2S)-2-(1-benzotriazolyl)-2-ethyl-N-phenyl-3-butenethioamide IUPAC Name: (2S)-2-(benzotriazol-1-yl)-2-ethyl-N-phenylbut-3-enethioamide Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-ethyl-N-phenyl-but-3-enethioamide Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C)(C(=S)NC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC[C@](C=C)(C(=S)NC1=CC=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H18N4S/c1-3-18(4-2,17(23)19-14-10-6-5-7-11-14)22-16-13-9-8-12-15(16)20-21-22/h3,5-13H,1,4H2,2H3,(H,19,23)/t18-/m1/s1