S-[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] 4-tert-butylbenzenecarbothioate

Systemtic Name: S-[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] 4-tert-butylbenzenecarbothioate Openeye Name: S-[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl] 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-[(5Z)-5-(3-indolylidene)-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] ester IUPAC Name: S-[(5Z)-5-indol-3-ylidene-4-(2-methylphenyl)-1H-1,2,4-triazol-3-yl] 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-[(5Z)-5-indol-3-ylidene-4-(o-tolyl)-1H-1,2,4-triazol-3-yl] ester Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(=O)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SC(=O)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C28H26N4OS/c1-18-9-5-8-12-24(18)32-25(22-17-29-23-11-7-6-10-21(22)23)30-31-27(32)34-26(33)19-13-15-20(16-14-19)28(2,3)4/h5-17,30H,1-4H3/b25-22-