5-(4-chlorophenyl)-4-[2-(3-indol-1-ylpropylamino)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chlorophenyl)-4-[2-(3-indol-1-ylpropylamino)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chlorophenyl)-4-[2-(3-indol-1-ylpropylamino)-2-oxo-ethyl]-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chlorophenyl)-4-[2-[3-(1-indolyl)propylamino]-2-oxoethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chlorophenyl)-4-[2-(3-indol-1-ylpropylamino)-2-oxoethyl]-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorophenyl)-4-[2-(3-indol-1-ylpropylamino)-2-keto-ethyl]-1,2,4-triazole-3-thiolate Formula: C21H19ClN5OS- MolecularWeight: 424.92646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CCCNC(=O)CN3C(=NN=C3[S-])C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CCCNC(=O)CN3C(=NN=C3[S-])C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5OS/c22-17-8-6-16(7-9-17)20-24-25-21(29)27(20)14-19(28)23-11-3-12-26-13-10-15-4-1-2-5-18(15)26/h1-2,4-10,13H,3,11-12,14H2,(H,23,28)(H,25,29)/p-1