azanylidyneazanium; ethyl carbamate; 5-methoxy-2-methyl-4-(4-methylphenyl)benzenethiol

Systemtic Name: azanylidyneazanium; ethyl carbamate; 5-methoxy-2-methyl-4-(4-methylphenyl)benzenethiol Openeye Name: ethyl carbamate; 5-methoxy-2-methyl-4-(p-tolyl)benzenethiol; nitridoammonium CAS Name: carbamic acid ethyl ester; 5-methoxy-2-methyl-4-(4-methylphenyl)benzenethiol; nitriloammonium IUPAC Name: azanylidyneazanium; ethyl carbamate; 5-methoxy-2-methyl-4-(4-methylphenyl)benzenethiol Traditional Name: 5-methoxy-2-methyl-4-(p-tolyl)benzenethiol; nitriloammonium; urethan Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N.CC1=CC=C(C=C1)C2=CC(=C(C=C2OC)S)C.[NH+]#N

Isomeric SMILES

CCOC(=O)N.CC1=CC=C(C=C1)C2=CC(=C(C=C2OC)S)C.[NH+]#N

InChI

InChI=1S/C15H16OS.C3H7NO2.N2/c1-10-4-6-12(7-5-10)13-8-11(2)15(17)9-14(13)16-3;1-2-6-3(4)5;1-2/h4-9,17H,1-3H3;2H2,1H3,(H2,4,5);/p+1