[3-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-ethyl-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C19H30N5OS+ MolecularWeight: 376.5394

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(C)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)C(C)C)CCC(=O)N

InChI

InChI=1S/C19H29N5OS/c1-5-23-18(11-10-17(20)25)21-24(19(23)26)13-22(4)12-15-6-8-16(9-7-15)14(2)3/h6-9,14H,5,10-13H2,1-4H3,(H2,20,25)/p+1