4-(3-chloranyl-4-methyl-phenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(3-chloro-4-methyl-phenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(3-chloro-4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chloro-4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(3-chloro-4-methyl-phenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C14H18ClN4OS+ MolecularWeight: 325.83692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN(C2=S)C[NH+]3CCOCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN(C2=S)C[NH+]3CCOCC3)Cl

InChI

InChI=1S/C14H17ClN4OS/c1-11-2-3-12(8-13(11)15)18-9-16-19(14(18)21)10-17-4-6-20-7-5-17/h2-3,8-9H,4-7,10H2,1H3/p+1