N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

Systemtic Name: N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine Openeye Name: N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-3-(2-thienylmethyl)imidazo[4,5-b]pyridin-2-amine CAS Name: N-[1-(2-isothiocyanatoethyl)-3-pyrrolidinyl]-3-(thiophen-2-ylmethyl)-2-imidazo[4,5-b]pyridinamine IUPAC Name: N-[1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine Traditional Name: [1-(2-isothiocyanatoethyl)pyrrolidin-3-yl]-[3-(2-thenyl)imidazo[4,5-b]pyridin-2-yl]amine Formula: C18H20N6S2 MolecularWeight: 384.5216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC2=NC3=C(N2CC4=CC=CS4)N=CC=C3)CCN=C=S

Isomeric SMILES

C1CN(CC1NC2=NC3=C(N2CC4=CC=CS4)N=CC=C3)CCN=C=S

InChI

InChI=1S/C18H20N6S2/c25-13-19-7-9-23-8-5-14(11-23)21-18-22-16-4-1-6-20-17(16)24(18)12-15-3-2-10-26-15/h1-4,6,10,14H,5,7-9,11-12H2,(H,21,22)