5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione CAS Name: 5-[(2-methyl-3-nitrophenyl)methylthio]-3-phenyl-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(2-methyl-3-nitro-benzyl)thio]-3-phenyl-1,3,4-thiadiazole-2-thione Formula: C16H13N3O2S3 MolecularWeight: 375.48832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O2S3/c1-11-12(6-5-9-14(11)19(20)21)10-23-15-17-18(16(22)24-15)13-7-3-2-4-8-13/h2-9H,10H2,1H3