(E)-3-azanyl-2-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-2-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-amino-but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-2-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-3-amino-but-2-enenitrile Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2)/N

InChI

InChI=1S/C17H17N5OS/c1-3-9-22-16(13-7-5-4-6-8-13)20-21-17(22)24-11-15(23)14(10-18)12(2)19/h3-8H,1,9,11,19H2,2H3/b14-12+