[4-(2-methoxy-5-methyl-phenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [4-(2-methoxy-5-methyl-phenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: (4-isopropylphenyl)methyl-[[4-(2-methoxy-5-methyl-phenyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: [4-(2-methoxy-5-methylphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [4-(2-methoxy-5-methylphenyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: (4-isopropylbenzyl)-[[4-(2-methoxy-5-methyl-phenyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C26H31N4OS2+ MolecularWeight: 479.68054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN(C2=S)C[NH+](C)CC3=CC=C(C=C3)C(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN(C2=S)C[NH+](C)CC3=CC=C(C=C3)C(C)C)C4=CC=CS4

InChI

InChI=1S/C26H30N4OS2/c1-18(2)21-11-9-20(10-12-21)16-28(4)17-29-26(32)30(25(27-29)24-7-6-14-33-24)22-15-19(3)8-13-23(22)31-5/h6-15,18H,16-17H2,1-5H3/p+1