N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-pyrimidinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-pyrimidin-2-yl-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-pyrimidyl)-1,4-diazepane-1-carbothioamide Formula: C17H17ClF3N5S MolecularWeight: 415.86359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NC=CC=N3

InChI

InChI=1S/C17H17ClF3N5S/c18-13-4-3-12(17(19,20)21)11-14(13)24-16(27)26-8-2-7-25(9-10-26)15-22-5-1-6-23-15/h1,3-6,11H,2,7-10H2,(H,24,27)