2-methylpropyl 2-thiocyanatoethanoate; triphenylmethanamine

Systemtic Name: 2-methylpropyl 2-thiocyanatoethanoate; triphenylmethanamine Openeye Name: isobutyl 2-thiocyanatoacetate; triphenylmethanamine CAS Name: 2-thiocyanatoacetic acid 2-methylpropyl ester; triphenylmethanamine IUPAC Name: 2-methylpropyl 2-thiocyanatoacetate; triphenylmethanamine Traditional Name: 2-thiocyanatoacetic acid isobutyl ester; tritylamine Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CSC#N.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N

Isomeric SMILES

CC(C)COC(=O)CSC#N.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N

InChI

InChI=1S/C19H17N.C7H11NO2S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6(2)3-10-7(9)4-11-5-8/h1-15H,20H2;6H,3-4H2,1-2H3