1-cyano-3-[2-[(6-phenylazanylpyridin-3-yl)methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-cyano-3-[2-[(6-phenylazanylpyridin-3-yl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-[2-[(6-anilino-3-pyridyl)methylsulfanyl]ethyl]-3-cyano-thiourea CAS Name: 1-[2-[(6-anilino-3-pyridinyl)methylthio]ethyl]-3-cyanothiourea IUPAC Name: 1-[2-[(6-anilinopyridin-3-yl)methylsulfanyl]ethyl]-3-cyanothiourea Traditional Name: 1-[2-[(6-anilino-3-pyridyl)methylthio]ethyl]-3-cyano-thiourea Formula: C16H17N5S2 MolecularWeight: 343.46968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=C(C=C2)CSCCNC(=S)NC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=C(C=C2)CSCCNC(=S)NC#N

InChI

InChI=1S/C16H17N5S2/c17-12-20-16(22)18-8-9-23-11-13-6-7-15(19-10-13)21-14-4-2-1-3-5-14/h1-7,10H,8-9,11H2,(H,19,21)(H2,18,20,22)