(2-chloranyl-5-nitro-phenyl)methyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-[(3-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-[(3-methyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C18H19ClN5O2S+ MolecularWeight: 404.89376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+](C)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O2S/c1-13-20-22(18(27)23(13)15-6-4-3-5-7-15)12-21(2)11-14-10-16(24(25)26)8-9-17(14)19/h3-10H,11-12H2,1-2H3/p+1