2-[1-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)thio]ethyl]-1H-quinazolin-4-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3CC=C)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5OS/c1-3-13-27-19(14-16-9-5-4-6-10-16)25-26-22(27)29-15(2)20-23-18-12-8-7-11-17(18)21(28)24-20/h3-12,15H,1,13-14H2,2H3,(H,23,24,28)