(5E)-5-(7-ethylindol-3-ylidene)-3-methyl-N-(phenylmethyl)-1,3,4-thiadiazinan-2-imine

Systemtic Name: (5E)-5-(7-ethylindol-3-ylidene)-3-methyl-N-(phenylmethyl)-1,3,4-thiadiazinan-2-imine Openeye Name: (5E)-N-benzyl-5-(7-ethylindol-3-ylidene)-3-methyl-1,3,4-thiadiazinan-2-imine CAS Name: (5E)-5-(7-ethyl-3-indolylidene)-3-methyl-N-(phenylmethyl)-1,3,4-thiadiazinan-2-imine IUPAC Name: (5E)-N-benzyl-5-(7-ethylindol-3-ylidene)-3-methyl-1,3,4-thiadiazinan-2-imine Traditional Name: benzyl-[(5E)-5-(7-ethylindol-3-ylidene)-3-methyl-1,3,4-thiadiazinan-2-ylidene]amine Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=CC2=C3CSC(=NCC4=CC=CC=C4)N(N3)C

Isomeric SMILES

CCC1=CC=CC\2=C1N=C/C2=C/3\CSC(=NCC4=CC=CC=C4)N(N3)C

InChI

InChI=1S/C21H22N4S/c1-3-16-10-7-11-17-18(13-22-20(16)17)19-14-26-21(25(2)24-19)23-12-15-8-5-4-6-9-15/h4-11,13,24H,3,12,14H2,1-2H3/b19-18-,23-21?