N-but-3-yn-2-yl-7-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-7-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepin-2-amine Openeye Name: N-(1-methylprop-2-ynyl)-7-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-7-(methylthio)-5-phenyl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-7-methylsulfanyl-5-phenyl-3H-1,4-benzodiazepin-2-amine Traditional Name: 1-methylprop-2-ynyl-[7-(methylthio)-5-phenyl-3H-1,4-benzodiazepin-2-yl]amine Formula: C20H19N3S MolecularWeight: 333.44996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1=NC2=C(C=C(C=C2)SC)C(=NC1)C3=CC=CC=C3

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)SC)C(=NC1)C3=CC=CC=C3

InChI

InChI=1S/C20H19N3S/c1-4-14(2)22-19-13-21-20(15-8-6-5-7-9-15)17-12-16(24-3)10-11-18(17)23-19/h1,5-12,14H,13H2,2-3H3,(H,22,23)