N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-benzothiadiazole-6-carboxamide

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1,2,3-benzothiadiazole-6-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,3-benzothiadiazole-6-carboxamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-1,2,3-benzothiadiazole-6-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,3-benzothiadiazole-6-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-1,2,3-benzothiadiazole-6-carboxamide Formula: C16H11N5OS3 MolecularWeight: 385.48644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=NS4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=NS4

InChI

InChI=1S/C16H11N5OS3/c22-14(11-6-7-12-13(8-11)25-21-18-12)17-15-19-20-16(24-15)23-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19,22)