(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [1-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H23N5OS2 MolecularWeight: 449.59162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C23H23N5OS2/c29-23(27-12-6-11-26(13-14-27)17-19-9-4-15-30-19)21-24-22(20-10-5-16-31-20)28(25-21)18-7-2-1-3-8-18/h1-5,7-10,15-16H,6,11-14,17H2