methyl N-[(E)-isoquinolin-1-ylmethylideneamino]carbamodithioate

Systemtic Name: methyl N-[(E)-isoquinolin-1-ylmethylideneamino]carbamodithioate Openeye Name: methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate CAS Name: N-[(E)-1-isoquinolinylmethylideneamino]carbamodithioic acid methyl ester IUPAC Name: methyl N-[(E)-isoquinolin-1-ylmethylideneamino]carbamodithioate Traditional Name: N-[(E)-1-isoquinolylmethyleneamino]carbamodithioic acid methyl ester Formula: C12H11N3S2 MolecularWeight: 261.36584

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)NN=CC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CSC(=S)N/N=C/C1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C12H11N3S2/c1-17-12(16)15-14-8-11-10-5-3-2-4-9(10)6-7-13-11/h2-8H,1H3,(H,15,16)/b14-8+