(1-prop-2-enylindol-3-yl) carbamimidothioate

Systemtic Name: (1-prop-2-enylindol-3-yl) carbamimidothioate Openeye Name: 2-(1-allylindol-3-yl)isothiourea CAS Name: carbamimidothioic acid (1-prop-2-enyl-3-indolyl) ester IUPAC Name: (1-prop-2-enylindol-3-yl) carbamimidothioate Traditional Name: 2-(1-allylindol-3-yl)isothiourea Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C2=CC=CC=C21)SC(=N)N

Isomeric SMILES

C=CCN1C=C(C2=CC=CC=C21)SC(=N)N

InChI

InChI=1S/C12H13N3S/c1-2-7-15-8-11(16-12(13)14)9-5-3-4-6-10(9)15/h2-6,8H,1,7H2,(H3,13,14)