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

Systemtic Name: (E)-3-azanyl-2-[2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]but-2-enenitrile Formula: C19H17N5O2S MolecularWeight: 379.43558

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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=CO3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3)/N

InChI

InChI=1S/C19H17N5O2S/c1-13(21)15(10-20)16(25)12-27-19-23-22-18(17-8-5-9-26-17)24(19)11-14-6-3-2-4-7-14/h2-9H,11-12,21H2,1H3/b15-13+