pyridin-3-ylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate

Systemtic Name: pyridin-3-ylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate Openeye Name: 3-pyridylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate CAS Name: N-[2-(1H-indol-3-yl)ethyl]carbamodithioic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate Traditional Name: N-[2-(1H-indol-3-yl)ethyl]carbamodithioic acid 3-pyridylmethyl ester Formula: C17H17N3S2 MolecularWeight: 327.46698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=S)SCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=S)SCC3=CN=CC=C3

InChI

InChI=1S/C17H17N3S2/c21-17(22-12-13-4-3-8-18-10-13)19-9-7-14-11-20-16-6-2-1-5-15(14)16/h1-6,8,10-11,20H,7,9,12H2,(H,19,21)