1,2,4-triazol-1-ylmethyl N-[(2,6-diethylphenyl)amino]carbamodithioate

Systemtic Name: 1,2,4-triazol-1-ylmethyl N-[(2,6-diethylphenyl)amino]carbamodithioate Openeye Name: 1,2,4-triazol-1-ylmethyl N-(2,6-diethylanilino)carbamodithioate CAS Name: N-(2,6-diethylanilino)carbamodithioic acid 1,2,4-triazol-1-ylmethyl ester IUPAC Name: 1,2,4-triazol-1-ylmethyl N-(2,6-diethylanilino)carbamodithioate Traditional Name: N-(2,6-diethylanilino)carbamodithioic acid 1,2,4-triazol-1-ylmethyl ester Formula: C14H19N5S2 MolecularWeight: 321.46416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NNC(=S)SCN2C=NC=N2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NNC(=S)SCN2C=NC=N2

InChI

InChI=1S/C14H19N5S2/c1-3-11-6-5-7-12(4-2)13(11)17-18-14(20)21-10-19-9-15-8-16-19/h5-9,17H,3-4,10H2,1-2H3,(H,18,20)