2-(diethylaminomethyl)-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 2-(diethylaminomethyl)-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-2-(diethylaminomethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 2-(diethylaminomethyl)-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 2-(diethylaminomethyl)-4-prop-2-enyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-2-(diethylaminomethyl)-1-thioxo-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CN1C(=S)N2C3=CC=CC=C3C(=O)N(C2=N1)CC=C

Isomeric SMILES

CCN(CC)CN1C(=S)N2C3=CC=CC=C3C(=O)N(C2=N1)CC=C

InChI

InChI=1S/C17H21N5OS/c1-4-11-20-15(23)13-9-7-8-10-14(13)22-16(20)18-21(17(22)24)12-19(5-2)6-3/h4,7-10H,1,5-6,11-12H2,2-3H3