2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethylammonium IUPAC Name: 2-[[5-(3-methylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[5-(m-tolyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethylammonium Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC[NH3+])C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC[NH3+])C3=CC(=CC=C3)C

InChI

InChI=1S/C18H20N4S/c1-13-6-8-16(9-7-13)22-17(15-5-3-4-14(2)12-15)20-21-18(22)23-11-10-19/h3-9,12H,10-11,19H2,1-2H3/p+1