1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea

Systemtic Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea Openeye Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-[2-(2-thienyl)ethyl]urea CAS Name: 1-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(2-thiophen-2-ylethyl)urea IUPAC Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea Traditional Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-[2-(2-thienyl)ethyl]urea Formula: C17H17N7OS MolecularWeight: 367.42818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C17H17N7OS/c25-17(18-8-7-14-4-3-9-26-14)20-13-10-19-23(11-13)12-24-16-6-2-1-5-15(16)21-22-24/h1-6,9-11H,7-8,12H2,(H2,18,20,25)