1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-chloranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-(3-chloranyl-4-methyl-phenyl)thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-(3-chloro-4-methylphenyl)thiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C16H15ClN6OS MolecularWeight: 374.8479

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN6OS/c1-10-6-7-11(8-12(10)17)18-16(25)21-20-15(24)9-23-14-5-3-2-4-13(14)19-22-23/h2-8H,9H2,1H3,(H,20,24)(H2,18,21,25)