5-(3-propan-2-yloxyphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1,2,4-triazolidine-3-thiol

Systemtic Name: 5-(3-propan-2-yloxyphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1,2,4-triazolidine-3-thiol Openeye Name: 5-(3-isopropoxyphenyl)-4-[(E)-(4-propoxyphenyl)methyleneamino]-1,2,4-triazolidine-3-thiol CAS Name: 5-(3-propan-2-yloxyphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1,2,4-triazolidine-3-thiol IUPAC Name: 5-(3-propan-2-yloxyphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1,2,4-triazolidine-3-thiol Traditional Name: 5-(3-isopropoxyphenyl)-4-[(E)-(4-propoxybenzylidene)amino]-1,2,4-triazolidine-3-thiol Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NN2C(NNC2S)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/N2C(NNC2S)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C21H28N4O2S/c1-4-12-26-18-10-8-16(9-11-18)14-22-25-20(23-24-21(25)28)17-6-5-7-19(13-17)27-15(2)3/h5-11,13-15,20-21,23-24,28H,4,12H2,1-3H3/b22-14+