N-[(R)-benzotriazol-1-yl-(4-methylphenyl)methyl]-4-chloranyl-benzenecarbothioamide

Systemtic Name: N-[(R)-benzotriazol-1-yl-(4-methylphenyl)methyl]-4-chloranyl-benzenecarbothioamide Openeye Name: N-[(R)-benzotriazol-1-yl(p-tolyl)methyl]-4-chloro-benzenecarbothioamide CAS Name: N-[(R)-1-benzotriazolyl-(4-methylphenyl)methyl]-4-chlorobenzenecarbothioamide IUPAC Name: N-[(R)-benzotriazol-1-yl-(4-methylphenyl)methyl]-4-chlorobenzenecarbothioamide Traditional Name: N-[(R)-benzotriazol-1-yl(p-tolyl)methyl]-4-chloro-thiobenzamide Formula: C21H17ClN4S MolecularWeight: 392.90448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(NC(=S)C2=CC=C(C=C2)Cl)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](NC(=S)C2=CC=C(C=C2)Cl)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H17ClN4S/c1-14-6-8-15(9-7-14)20(23-21(27)16-10-12-17(22)13-11-16)26-19-5-3-2-4-18(19)24-25-26/h2-13,20H,1H3,(H,23,27)/t20-/m1/s1