pyridin-4-ylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate

Systemtic Name: pyridin-4-ylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate Openeye Name: 4-pyridylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate CAS Name: N-[2-(1H-indol-3-yl)ethyl]carbamodithioic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl N-[2-(1H-indol-3-yl)ethyl]carbamodithioate Traditional Name: N-[2-(1H-indol-3-yl)ethyl]carbamodithioic acid 4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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