4-[(E)-(3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-isopropoxyphenyl)-4-[(E)-(3-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-nitrophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-isopropoxyphenyl)-4-[(E)-(3-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-12(2)26-16-8-4-6-14(10-16)17-20-21-18(27)22(17)19-11-13-5-3-7-15(9-13)23(24)25/h3-12H,1-2H3,(H,21,27)/b19-11+