N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H13ClN8OS MolecularWeight: 400.84542

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C16H13ClN8OS/c1-27-16-18-7-11(17)14(21-16)15(26)20-10-6-19-24(8-10)9-25-13-5-3-2-4-12(13)22-23-25/h2-8H,9H2,1H3,(H,20,26)