4-chloranyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]butanamide CAS Name: 4-chloro-N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]butanamide Traditional Name: 4-chloro-N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]butyramide Formula: C18H17Cl2N5OS MolecularWeight: 422.33148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C18H17Cl2N5OS/c1-11-4-6-12(7-5-11)25-23-15-9-13(20)14(10-16(15)24-25)21-18(27)22-17(26)3-2-8-19/h4-7,9-10H,2-3,8H2,1H3,(H2,21,22,26,27)