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

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-thiophene-3-carboxamide Openeye Name: 5-nitro-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide CAS Name: N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-nitro-thiophene-3-carboxamide Formula: C15H12N4O3S3 MolecularWeight: 392.47578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O3S3/c1-9-2-4-10(5-3-9)7-24-15-18-17-14(25-15)16-13(20)11-6-12(19(21)22)23-8-11/h2-6,8H,7H2,1H3,(H,16,17,20)