4-phenyl-2-prop-2-ynylsulfanyl-3H-1,4-benzodiazepin-5-one

Systemtic Name: 4-phenyl-2-prop-2-ynylsulfanyl-3H-1,4-benzodiazepin-5-one Openeye Name: 4-phenyl-2-prop-2-ynylsulfanyl-3H-1,4-benzodiazepin-5-one CAS Name: 4-phenyl-2-(prop-2-ynylthio)-3H-1,4-benzodiazepin-5-one IUPAC Name: 4-phenyl-2-prop-2-ynylsulfanyl-3H-1,4-benzodiazepin-5-one Traditional Name: 4-phenyl-2-(propargylthio)-3H-1,4-benzodiazepin-5-one Formula: C18H14N2OS MolecularWeight: 306.38156

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC2=CC=CC=C2C(=O)N(C1)C3=CC=CC=C3

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2C(=O)N(C1)C3=CC=CC=C3

InChI

InChI=1S/C18H14N2OS/c1-2-12-22-17-13-20(14-8-4-3-5-9-14)18(21)15-10-6-7-11-16(15)19-17/h1,3-11H,12-13H2