2-isocyanato-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazole

Systemtic Name: 2-isocyanato-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazole Openeye Name: 2-isocyanato-5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazole CAS Name: 2-isocyanato-5-(3-pyridinylmethylthio)-1,3,4-thiadiazole IUPAC Name: 2-isocyanato-5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazole Traditional Name: 2-isocyanato-5-(3-pyridylmethylthio)-1,3,4-thiadiazole Formula: C9H6N4OS2 MolecularWeight: 250.30014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=NN=C(S2)N=C=O

Isomeric SMILES

C1=CC(=CN=C1)CSC2=NN=C(S2)N=C=O

InChI

InChI=1S/C9H6N4OS2/c14-6-11-8-12-13-9(16-8)15-5-7-2-1-3-10-4-7/h1-4H,5H2