2-(azocan-1-ium-1-ylmethyl)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione CAS Name: 2-(1-azocan-1-iumylmethyl)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole-3-thione Formula: C20H31N4OS+ MolecularWeight: 375.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN(C1=S)C[NH+]2CCCCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C(=NN(C1=S)C[NH+]2CCCCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H30N4OS/c1-16(2)24-19(17-9-11-18(25-3)12-10-17)21-23(20(24)26)15-22-13-7-5-4-6-8-14-22/h9-12,16H,4-8,13-15H2,1-3H3/p+1