1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(2-chloranyl-4,6-dimethyl-phenyl)thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(2-chloranyl-4,6-dimethyl-phenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-chloro-4,6-dimethyl-phenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(2-chloro-4,6-dimethylphenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-chloro-4,6-dimethylphenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(2-chloro-4,6-dimethyl-phenyl)thiourea Formula: C17H17ClN6OS MolecularWeight: 388.87448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C17H17ClN6OS/c1-10-7-11(2)16(12(18)8-10)19-17(26)22-21-15(25)9-24-14-6-4-3-5-13(14)20-23-24/h3-8H,9H2,1-2H3,(H,21,25)(H2,19,22,26)