N-[2-(cyclohexen-1-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C22H24N6OS MolecularWeight: 420.53056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=C(N(N=N2)C3=CC=CC=C3)CSC4=NC=CC=N4

InChI

InChI=1S/C22H24N6OS/c29-21(23-15-12-17-8-3-1-4-9-17)20-19(16-30-22-24-13-7-14-25-22)28(27-26-20)18-10-5-2-6-11-18/h2,5-8,10-11,13-14H,1,3-4,9,12,15-16H2,(H,23,29)