2-dimethylaminoethyl N-[(2-methyl-5-nitro-phenyl)methyl]carbamodithioate

Systemtic Name: 2-dimethylaminoethyl N-[(2-methyl-5-nitro-phenyl)methyl]carbamodithioate Openeye Name: 2-dimethylaminoethyl N-[(2-methyl-5-nitro-phenyl)methyl]carbamodithioate CAS Name: N-[(2-methyl-5-nitrophenyl)methyl]carbamodithioic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl N-[(2-methyl-5-nitrophenyl)methyl]carbamodithioate Traditional Name: N-(2-methyl-5-nitro-benzyl)carbamodithioic acid 2-dimethylaminoethyl ester Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CNC(=S)SCCN(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CNC(=S)SCCN(C)C

InChI

InChI=1S/C13H19N3O2S2/c1-10-4-5-12(16(17)18)8-11(10)9-14-13(19)20-7-6-15(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,14,19)