N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-benzylsulfanyl-propanamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-2-(phenylmethylthio)propanamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-benzylsulfanylpropanamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(benzylthio)propionamide Formula: C20H20N6OS MolecularWeight: 392.4774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2)SCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2)SCC4=CC=CC=C4

InChI

InChI=1S/C20H20N6OS/c1-15(28-13-16-7-3-2-4-8-16)20(27)22-17-11-21-25(12-17)14-26-19-10-6-5-9-18(19)23-24-26/h2-12,15H,13-14H2,1H3,(H,22,27)