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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=O)CN2C3=CC=CC=C3N=N2

InChI

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