4-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(Z)-(7-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methyleneamino]-3-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H15ClN4O3S/c1-2-24-13-5-3-12(4-6-13)17-21-22-18(27)23(17)20-9-11-7-14(19)16-15(8-11)25-10-26-16/h3-9H,2,10H2,1H3,(H,22,27)/b20-9-