1-phenyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenyl-triazole-4-carboxamide CAS Name: 1-phenyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-triazolecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenyltriazole-4-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1-phenyl-triazole-4-carboxamide Formula: C18H14N6OS2 MolecularWeight: 394.47336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N6OS2/c25-16(15-11-24(23-20-15)14-9-5-2-6-10-14)19-17-21-22-18(27-17)26-12-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,21,25)