3-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-(4-chloro-2-nitro-phenyl)sulfanyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-chloro-2-nitrophenyl)thio]-5-(4-methoxyphenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-(4-chloro-2-nitrophenyl)sulfanyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-chloro-2-nitro-phenyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C22H17ClN4O3S MolecularWeight: 452.91338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN4O3S/c1-30-18-10-7-16(8-11-18)21-24-25-22(26(21)14-15-5-3-2-4-6-15)31-20-12-9-17(23)13-19(20)27(28)29/h2-13H,14H2,1H3