3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-cyclopropyl-5-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-cyclopropyl-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-4-cyclopropyl-5-isopropyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-4-cyclopropyl-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-4-cyclopropyl-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]-4-cyclopropyl-5-isopropyl-1,2,4-triazole Formula: C14H15ClN4O2S MolecularWeight: 338.8125

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H15ClN4O2S/c1-8(2)13-16-17-14(18(13)9-3-4-9)22-12-6-5-10(19(20)21)7-11(12)15/h5-9H,3-4H2,1-2H3