3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-(4-benzyloxyphenyl)-3-(5-nitrothiazol-2-yl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-nitro-2-thiazolyl)thio]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-(4-benzoxyphenyl)-3-[(5-nitrothiazol-2-yl)thio]-1H-1,2,4-triazol-5-one Formula: C18H13N5O4S2 MolecularWeight: 427.45692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O4S2/c24-16-20-21-17(29-18-19-10-15(28-18)23(25)26)22(16)13-6-8-14(9-7-13)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24)