2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[[4-azanyl-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[4-amino-5-(2-phenylpropyl)-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C17H19N5OS MolecularWeight: 341.43066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NN=C(N1N)SCC(=O)C2=CC=CN2)C3=CC=CC=C3

Isomeric SMILES

CC(CC1=NN=C(N1N)SCC(=O)C2=CC=CN2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5OS/c1-12(13-6-3-2-4-7-13)10-16-20-21-17(22(16)18)24-11-15(23)14-8-5-9-19-14/h2-9,12,19H,10-11,18H2,1H3