[3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium

Systemtic Name: [3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: [3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: [3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [3-(4-methoxyphenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: [3-(4-methoxyphenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N5OS/c1-25(16-19-8-4-5-9-21(19)27-14-6-7-15-27)17-28-23(30)26(2)22(24-28)18-10-12-20(29-3)13-11-18/h4-5,8-13H,6-7,14-17H2,1-3H3/p+1