3-azanyl-2-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: 3-azanyl-2-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: 3-amino-2-[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: 3-amino-2-[1-oxo-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]-2-butenenitrile IUPAC Name: 3-amino-2-[2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: 3-amino-2-[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3)N

Isomeric SMILES

CC(=C(C#N)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3)N

InChI

InChI=1S/C20H18N6OS/c1-14(22)17(11-21)18(27)13-28-20-25-24-19(16-7-9-23-10-8-16)26(20)12-15-5-3-2-4-6-15/h2-10H,12-13,22H2,1H3