3-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(allylamino)thiazol-4-yl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(prop-2-enylamino)-4-thiazolyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(allylamino)thiazol-4-yl]indol-1-yl]propionitrile Formula: C17H16N4S MolecularWeight: 308.40074

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

C=CCNC1=NC(=CS1)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C17H16N4S/c1-2-9-19-17-20-15(12-22-17)14-11-21(10-5-8-18)16-7-4-3-6-13(14)16/h2-4,6-7,11-12H,1,5,9-10H2,(H,19,20)