3-[3-[2-[(phenylmethyl)amino]-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[(phenylmethyl)amino]-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(benzylamino)-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(phenylmethyl)amino]-6H-1,3,4-thiadiazin-5-yl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(benzylamino)-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(benzylamino)-6H-1,3,4-thiadiazin-5-yl]indol-1-yl]propionitrile Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN=C(S1)NCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1C(=NN=C(S1)NCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H19N5S/c22-11-6-12-26-14-18(17-9-4-5-10-20(17)26)19-15-27-21(25-24-19)23-13-16-7-2-1-3-8-16/h1-5,7-10,14H,6,12-13,15H2,(H,23,25)