2-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-phenyl-triazole-4-carboxamide CAS Name: 2-phenyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-4-triazolecarboxamide IUPAC Name: 2-phenyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-phenyl-triazole-4-carboxamide Formula: C14H12N6OS2 MolecularWeight: 344.41468

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H12N6OS2/c1-2-8-22-14-18-17-13(23-14)16-12(21)11-9-15-20(19-11)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,16,17,21)