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

Systemtic Name: 3-(4-ethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-ethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-ethoxyphenyl)-4-[(7-ethyl-3-indolylidene)methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-ethoxyphenyl)-4-[(7-ethylindol-3-ylidene)methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(7-ethylindol-3-ylidene)methylamino]-3-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-3-14-6-5-7-18-16(12-22-19(14)18)13-23-26-20(24-25-21(26)28)15-8-10-17(11-9-15)27-4-2/h5-13,23H,3-4H2,1-2H3,(H,25,28)