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

Systemtic Name: 2-phenyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-phenyl-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-phenyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-phenyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-phenyl-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]ethanone Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C21H18N4OS/c26-19(14-16-8-3-1-4-9-16)25-21(22-15-18-12-7-13-27-18)23-20(24-25)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,24)