[4-(4-chlorophenyl)-3-indol-3-ylidene-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-bis(2-methoxyethyl)azanium

Systemtic Name: [4-(4-chlorophenyl)-3-indol-3-ylidene-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-bis(2-methoxyethyl)azanium Openeye Name: [4-(4-chlorophenyl)-3-indol-3-ylidene-5-thioxo-1,2,4-triazolidin-1-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [4-(4-chlorophenyl)-3-(3-indolylidene)-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [4-(4-chlorophenyl)-3-indol-3-ylidene-5-sulfanylidene-1,2,4-triazolidin-1-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [4-(4-chlorophenyl)-3-indol-3-ylidene-5-thioxo-1,2,4-triazolidin-1-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C23H27ClN5O2S+ MolecularWeight: 473.01078

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CN1C(=S)N(C(=C2C=NC3=CC=CC=C32)N1)C4=CC=C(C=C4)Cl

Isomeric SMILES

COCC[NH+](CCOC)CN1C(=S)N(C(=C2C=NC3=CC=CC=C32)N1)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN5O2S/c1-30-13-11-27(12-14-31-2)16-28-23(32)29(18-9-7-17(24)8-10-18)22(26-28)20-15-25-21-6-4-3-5-19(20)21/h3-10,15,26H,11-14,16H2,1-2H3/p+1