[5-[(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone

Systemtic Name: [5-[(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-yl-methanone Openeye Name: [1-allyl-5-(benzylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone CAS Name: [5-[(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone IUPAC Name: [5-(benzylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholin-4-ylmethanone Traditional Name: [1-allyl-5-(benzylamino)-4,5,6,7-tetrahydroindazol-3-yl]-thiomorpholino-methanone Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCC3=CC=CC=C3)C(=N1)C(=O)N4CCSCC4

InChI

InChI=1S/C22H28N4OS/c1-2-10-26-20-9-8-18(23-16-17-6-4-3-5-7-17)15-19(20)21(24-26)22(27)25-11-13-28-14-12-25/h2-7,18,23H,1,8-16H2