(E)-3-azanyl-2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C15H15N5OS2 MolecularWeight: 345.4425

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1C2CC2)C3=CC=CS3)/N

InChI

InChI=1S/C15H15N5OS2/c1-9(17)11(7-16)12(21)8-23-15-19-18-14(13-3-2-6-22-13)20(15)10-4-5-10/h2-3,6,10H,4-5,8,17H2,1H3/b11-9+