3-(3,4-dimethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3,4-dimethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3,4-dimethoxyphenyl)-4-[(7-ethyl-3-indolylidene)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-dimethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=CC2=CNN3C(=NNC3=S)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1=CC=CC2=C1N=CC2=CNN3C(=NNC3=S)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H21N5O2S/c1-4-13-6-5-7-16-15(11-22-19(13)16)12-23-26-20(24-25-21(26)29)14-8-9-17(27-2)18(10-14)28-3/h5-12,23H,4H2,1-3H3,(H,25,29)