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

Systemtic Name: (E)-3-azanyl-2-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]acetyl]but-2-enenitrile Formula: C15H20N6OS MolecularWeight: 332.4239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(N1C2CC2)N3CCCC3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1C2CC2)N3CCCC3)/N

InChI

InChI=1S/C15H20N6OS/c1-10(17)12(8-16)13(22)9-23-15-19-18-14(20-6-2-3-7-20)21(15)11-4-5-11/h11H,2-7,9,17H2,1H3/b12-10+