N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C28H21N7OS2 MolecularWeight: 535.64264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(N(N=N4)C5=CC=CC=C5)CSC6=NC=CC=N6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(N(N=N4)C5=CC=CC=C5)CSC6=NC=CC=N6

InChI

InChI=1S/C28H21N7OS2/c1-18-8-13-22-24(16-18)38-27(32-22)19-9-11-20(12-10-19)31-26(36)25-23(17-37-28-29-14-5-15-30-28)35(34-33-25)21-6-3-2-4-7-21/h2-16H,17H2,1H3,(H,31,36)