3-(3-ethoxyphenyl)-4-[(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-ethoxyphenyl)-4-[(E)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-ethoxyphenyl)-4-[(E)-[3-nitro-4-(1-piperidyl)phenyl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-ethoxyphenyl)-4-[(E)-[3-nitro-4-(1-piperidinyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-ethoxyphenyl)-4-[(E)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-m-phenetyl-4-[(E)-(3-nitro-4-piperidino-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3S/c1-2-31-18-8-6-7-17(14-18)21-24-25-22(32)27(21)23-15-16-9-10-19(20(13-16)28(29)30)26-11-4-3-5-12-26/h6-10,13-15H,2-5,11-12H2,1H3,(H,25,32)/b23-15+