1-[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[3,5-bis(2-thienylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[3,5-bis(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[3,5-bis(2-thenylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C21H21N5OS2 MolecularWeight: 423.55434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)NCC3=CC=CS3)NCC4=CC=CS4

InChI

InChI=1S/C21H21N5OS2/c27-19(11-10-16-6-2-1-3-7-16)26-21(23-15-18-9-5-13-29-18)24-20(25-26)22-14-17-8-4-12-28-17/h1-9,12-13H,10-11,14-15H2,(H2,22,23,24,25)