N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]nicotinamide Formula: C20H15ClN6OS MolecularWeight: 422.8907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CN=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CN=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15ClN6OS/c1-12-9-17-18(26-27(25-17)15-6-4-14(21)5-7-15)10-16(12)23-20(29)24-19(28)13-3-2-8-22-11-13/h2-11H,1H3,(H2,23,24,28,29)