4-(4-ethoxyphenyl)-5-indol-3-ylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione

Systemtic Name: 4-(4-ethoxyphenyl)-5-indol-3-ylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione Openeye Name: 4-(4-ethoxyphenyl)-5-indol-3-ylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione CAS Name: 4-(4-ethoxyphenyl)-5-(3-indolylidene)-2-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazolidine-3-thione IUPAC Name: 4-(4-ethoxyphenyl)-5-indol-3-ylidene-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione Traditional Name: 5-indol-3-ylidene-4-p-phenetyl-2-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazolidine-3-thione Formula: C23H26N5OS+ MolecularWeight: 420.55044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN(C2=S)C[NH+]5CCCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN(C2=S)C[NH+]5CCCC5

InChI

InChI=1S/C23H25N5OS/c1-2-29-18-11-9-17(10-12-18)28-22(20-15-24-21-8-4-3-7-19(20)21)25-27(23(28)30)16-26-13-5-6-14-26/h3-4,7-12,15,25H,2,5-6,13-14,16H2,1H3/p+1