N-[3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

Systemtic Name: N-[3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Openeye Name: N-[3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine CAS Name: N-[3-[3-(methylthio)-1H-1,2,4-triazol-5-yl]propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine IUPAC Name: N-[3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)propyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine Traditional Name: 3-[3-(methylthio)-1H-1,2,4-triazol-5-yl]propyl-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C12H21N5S MolecularWeight: 267.39364

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=N1)CCCNC2=NCCCCC2

Isomeric SMILES

CSC1=NNC(=N1)CCCNC2=NCCCCC2

InChI

InChI=1S/C12H21N5S/c1-18-12-15-11(16-17-12)7-5-9-14-10-6-3-2-4-8-13-10/h2-9H2,1H3,(H,13,14)(H,15,16,17)