5-(4-chlorophenyl)-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-chlorophenyl)-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-chlorophenyl)-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-chlorophenyl)-3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole IUPAC Name: 5-(4-chlorophenyl)-3-(2,4-dinitrophenyl)sulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-chlorophenyl)-3-[(2,4-dinitrophenyl)thio]-1H-1,2,4-triazole Formula: C14H8ClN5O4S MolecularWeight: 377.76242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H8ClN5O4S/c15-9-3-1-8(2-4-9)13-16-14(18-17-13)25-12-6-5-10(19(21)22)7-11(12)20(23)24/h1-7H,(H,16,17,18)