N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-phenyl-triazole-4-carboxamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=NN(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H18N6OS/c1-14-12-15(2)24-21(23-14)29-18-10-8-16(9-11-18)25-20(28)19-13-22-27(26-19)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,25,28)