1-phenyl-N-prop-2-enyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenyl-N-prop-2-enyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-allyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: 1-phenyl-N-prop-2-enyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: 1-phenyl-N-prop-2-enyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-allyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C17H16N6OS MolecularWeight: 352.41354

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

C=CCNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C17H16N6OS/c1-2-9-18-16(24)15-14(12-25-17-19-10-6-11-20-17)23(22-21-15)13-7-4-3-5-8-13/h2-8,10-11H,1,9,12H2,(H,18,24)