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

Systemtic Name: 5-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitro-thiophene-3-carboxamide CAS Name: 5-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-thiophenecarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-5-nitrothiophene-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-nitro-thiophene-3-carboxamide Formula: C14H10N4O3S3 MolecularWeight: 378.4492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O3S3/c19-12(10-6-11(18(20)21)22-8-10)15-13-16-17-14(24-13)23-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16,19)