2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-5-(methylthio)-1,3,4-thiadiazole IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-5-(methylthio)-1,3,4-thiadiazole Formula: C14H13N5O2S3 MolecularWeight: 379.48032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NN=C(S3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SC3=NN=C(S3)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O2S3/c1-9-15-11(19(20)21)12(23-14-17-16-13(22-2)24-14)18(9)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3